N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine

C17H22N2 — CID 62003894

IUPACN-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
SMILESCc1ccc(N(C)C(CN)c2ccccc2)c(C)c1
InChIInChI=1S/C17H22N2/c1-13-9-10-16(14(2)11-13)19(3)17(12-18)15-7-5-4-6-8-15/h4-11,17H,12,18H2,1-3H3
InChIKeyYQFYRZHDBFKHDQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.44
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine

N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 62003894) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
PubChem CID62003894
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
SMILESCc1ccc(N(C)C(CN)c2ccccc2)c(C)c1
InChIInChI=1S/C17H22N2/c1-13-9-10-16(14(2)11-13)19(3)17(12-18)15-7-5-4-6-8-15/h4-11,17H,12,18H2,1-3H3
InChIKeyYQFYRZHDBFKHDQ-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
CID 114937122
N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571837
3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
CID 62876983
1-(3-bromothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380402
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 102838978
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 62004095
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline
CID 130387749
1-(3-bromo-4-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 105404647
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine (CID 62003894) is N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine is Cc1ccc(N(C)C(CN)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is YQFYRZHDBFKHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-9-10-16(14(2)11-13)19(3)17(12-18)15-7-5-4-6-8-15/h4-11,17H,12,18H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine?
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62003894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).