N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine

C33H38ClNO — CID 164708629

IUPACN-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine
SMILESCc1cc(Cl)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc3oc4c(c3c2)C(C)(C)CCC4(C)C)c1
InChIInChI=1S/C33H38ClNO/c1-21-17-23(34)19-26(18-21)35(24-11-9-22(10-12-24)31(2,3)4)25-13-14-28-27(20-25)29-30(36-28)33(7,8)16-15-32(29,5)6/h9-14,17-20H,15-16H2,1-8H3
InChIKeyJZMFRBZNRPDUDD-UHFFFAOYSA-N
MW500.13 g/mol
LogP10.51
Rot. Bonds3

About N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine

N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine (PubChem CID 164708629) has the molecular formula C33H38ClNO and a molecular weight of 500.13 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine
PubChem CID164708629
Molecular FormulaC33H38ClNO
Molecular Weight500.13 g/mol
Exact Mass499.26
IUPAC NameN-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine
SMILESCc1cc(Cl)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc3oc4c(c3c2)C(C)(C)CCC4(C)C)c1
InChIInChI=1S/C33H38ClNO/c1-21-17-23(34)19-26(18-21)35(24-11-9-22(10-12-24)31(2,3)4)25-13-14-28-27(20-25)29-30(36-28)33(7,8)16-15-32(29,5)6/h9-14,17-20H,15-16H2,1-8H3
InChIKeyJZMFRBZNRPDUDD-UHFFFAOYSA-N
XLogP10.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.13
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine with MolForge

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Related Compounds

N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
3-N-(3-tert-butylphenyl)-3-N-dibenzofuran-4-yl-5-methyl-1-N,1-N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167390714
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
N,N-bis(4-tert-butylphenyl)-22-dibenzofuran-1-yl-5,5,12,12,19-pentamethyl-16-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6,8,10,14,17,19,21(29),23(28),24,26-dodecaen-26-amine
CID 167393160
3-N-(1-benzofuran-3-yl)-1-N,1-N-bis(4-tert-butylphenyl)-5-methyl-3-N-phenylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-phenyl-1-benzofuran-3-amine
CID 165009426
1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 166497789
18-(7-tert-butyldibenzofuran-2-yl)-N-(4-tert-butylphenyl)-5,5,8,8,15-pentamethyl-N,12-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaen-21-amine
CID 166497523
N-(3-chloro-5-methylphenyl)-N,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine
CID 166879527
N-(4-tert-butylphenyl)-24-(4-tert-butyl-2-phenylphenyl)-N-dibenzofuran-2-yl-2,7,11,11,14,14,27-heptamethyl-1,24-diaza-17-boraoctacyclo[14.13.1.117,25.02,7.08,30.010,15.018,23.029,31]hentriaconta-8(30),9,15,18(23),19,21,25(31),26,28-nonaen-21-amine
CID 161297344
3-N-(3-tert-butylphenyl)-3-N,8-N,8-N-tris(4-tert-butylphenyl)-10,10-dimethyl-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine;10,10-dimethyl-3-N,3-N,8-N,8-N-tetrakis(2,4,6-trimethylphenyl)-[1]benzosilolo[3,2-b][1]benzofuran-3,8-diamine
CID 157136394
N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
CID 167391415
N,N-bis(4-tert-butylphenyl)-8-dibenzofuran-2-yl-11,18,18,20,20-pentamethyl-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaen-5-amine
CID 167391830

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine (CID 164708629) is N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine is Cc1cc(Cl)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc3oc4c(c3c2)C(C)(C)CCC4(C)C)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine?
The InChIKey is JZMFRBZNRPDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClNO/c1-21-17-23(34)19-26(18-21)35(24-11-9-22(10-12-24)31(2,3)4)25-13-14-28-27(20-25)29-30(36-28)33(7,8)16-15-32(29,5)6/h9-14,17-20H,15-16H2,1-8H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine?
N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine has a molecular weight of 500.13 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(3-chloro-5-methylphenyl)-6,6,9,9-tetramethyl-7,8-dihydrodibenzofuran-2-amine is sourced from PubChem (CID 164708629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).