3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine

C35H41ClN2 — CID 173298067

IUPAC3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine
SMILESCc1cccc(C(Cc2ccccc2)(C(CC(Cc2ccccc2)N(C)C)c2cccc(Cl)c2)N(C)C)c1
InChIInChI=1S/C35H41ClN2/c1-27-14-12-20-31(22-27)35(38(4)5,26-29-17-10-7-11-18-29)34(30-19-13-21-32(36)24-30)25-33(37(2)3)23-28-15-8-6-9-16-28/h6-22,24,33-34H,23,25-26H2,1-5H3
InChIKeyZYMCFPWYJRUAJV-UHFFFAOYSA-N
MW525.18 g/mol
LogP7.99
Rot. Bonds11

About 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine

3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine (PubChem CID 173298067) has the molecular formula C35H41ClN2 and a molecular weight of 525.18 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine
PubChem CID173298067
Molecular FormulaC35H41ClN2
Molecular Weight525.18 g/mol
Exact Mass524.30
IUPAC Name3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine
SMILESCc1cccc(C(Cc2ccccc2)(C(CC(Cc2ccccc2)N(C)C)c2cccc(Cl)c2)N(C)C)c1
InChIInChI=1S/C35H41ClN2/c1-27-14-12-20-31(22-27)35(38(4)5,26-29-17-10-7-11-18-29)34(30-19-13-21-32(36)24-30)25-33(37(2)3)23-28-15-8-6-9-16-28/h6-22,24,33-34H,23,25-26H2,1-5H3
InChIKeyZYMCFPWYJRUAJV-UHFFFAOYSA-N
XLogP7.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.18
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844
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1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
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tris(1-chloro-3-methylbenzene);ethane
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1-chloro-3-methylbenzene;ethane
CID 123907748
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile
CID 117048203
1-[bromo-bis(3-methylphenyl)methyl]-3-chlorobenzene
CID 90697476
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
4-chloro-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]iminomethyl]phenol
CID 135758067
4-amino-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]phenol
CID 62979115
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,N',2-trimethylpropane-1,3-diamine
CID 62985407

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine?
The IUPAC name of 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine (CID 173298067) is 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine?
The canonical SMILES for 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine is Cc1cccc(C(Cc2ccccc2)(C(CC(Cc2ccccc2)N(C)C)c2cccc(Cl)c2)N(C)C)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine?
The InChIKey is ZYMCFPWYJRUAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41ClN2/c1-27-14-12-20-31(22-27)35(38(4)5,26-29-17-10-7-11-18-29)34(30-19-13-21-32(36)24-30)25-33(37(2)3)23-28-15-8-6-9-16-28/h6-22,24,33-34H,23,25-26H2,1-5H3.
What are the key properties of 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine?
3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine has a molecular weight of 525.18 g/mol, XLogP of 7.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine is sourced from PubChem (CID 173298067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).