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

C17H22N2 — CID 65377760

IUPAC1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H22N2/c1-12-4-8-16(9-5-12)19-17(11-18)15-7-6-13(2)14(3)10-15/h4-10,17,19H,11,18H2,1-3H3
InChIKeyDLFSLGGTCOQVNM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.72
Rot. Bonds4

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

1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 65377760) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID65377760
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H22N2/c1-12-4-8-16(9-5-12)19-17(11-18)15-7-6-13(2)14(3)10-15/h4-10,17,19H,11,18H2,1-3H3
InChIKeyDLFSLGGTCOQVNM-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 82756921
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65376503
N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 107582847
N-(3-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 104721774
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine (CID 65377760) is 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is DLFSLGGTCOQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-4-8-16(9-5-12)19-17(11-18)15-7-6-13(2)14(3)10-15/h4-10,17,19H,11,18H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65377760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).