N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine

C23H23NO — CID 138456794

IUPACN-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
SMILESCc1ccc(N(C)c2cccc3c2oc2c(C(C)C)cccc23)cc1
InChIInChI=1S/C23H23NO/c1-15(2)18-7-5-8-19-20-9-6-10-21(23(20)25-22(18)19)24(4)17-13-11-16(3)12-14-17/h5-15H,1-4H3
InChIKeyIBNQMICMOJYNMP-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.79
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine

N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine (PubChem CID 138456794) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
PubChem CID138456794
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
SMILESCc1ccc(N(C)c2cccc3c2oc2c(C(C)C)cccc23)cc1
InChIInChI=1S/C23H23NO/c1-15(2)18-7-5-8-19-20-9-6-10-21(23(20)25-22(18)19)24(4)17-13-11-16(3)12-14-17/h5-15H,1-4H3
InChIKeyIBNQMICMOJYNMP-UHFFFAOYSA-N
XLogP6.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138652817
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
1-N-[6-(dimethyl-λ3-iodanyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)-6-N-(6-propan-2-yldibenzofuran-4-yl)pyrene-1,6-diamine
CID 144919297
1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-8-methyldibenzofuran-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158424136
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
4,18-dimethyl-8,14-bis(4-methylphenyl)-N-phenyl-N-(6-propan-2-yldibenzofuran-4-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
CID 167359743
6-cyclopentyl-N-methyl-N-phenyldibenzofuran-4-amine
CID 138456793

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine?
The IUPAC name of N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine (CID 138456794) is N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine is Cc1ccc(N(C)c2cccc3c2oc2c(C(C)C)cccc23)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine?
The InChIKey is IBNQMICMOJYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-15(2)18-7-5-8-19-20-9-6-10-21(23(20)25-22(18)19)24(4)17-13-11-16(3)12-14-17/h5-15H,1-4H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine?
N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine has a molecular weight of 329.44 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine is sourced from PubChem (CID 138456794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).