1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

C16H19ClN2 — CID 106817471

IUPAC1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2/c1-11-3-7-14(8-4-11)19-16(10-18)13-6-5-12(2)15(17)9-13/h3-9,16,19H,10,18H2,1-2H3
InChIKeyHOQSDBJILYBRSD-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine

1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106817471) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106817471
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H19ClN2/c1-11-3-7-14(8-4-11)19-16(10-18)13-6-5-12(2)15(17)9-13/h3-9,16,19H,10,18H2,1-2H3
InChIKeyHOQSDBJILYBRSD-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
N-(3-chloro-4-methylphenyl)-1-[4-(methoxymethyl)phenyl]ethane-1,2-diamine
CID 104721868
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
2-(3-chloro-4-methylphenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 106817514
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 106817471) is 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HOQSDBJILYBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11-3-7-14(8-4-11)19-16(10-18)13-6-5-12(2)15(17)9-13/h3-9,16,19H,10,18H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106817471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).