N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine

C17H22N2 — CID 62003718

IUPACN-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)N(C)c2ccccc2C)c1
InChIInChI=1S/C17H22N2/c1-13-7-6-9-15(11-13)17(12-18)19(3)16-10-5-4-8-14(16)2/h4-11,17H,12,18H2,1-3H3
InChIKeyZFESCYBMSSMNBW-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.44
Rot. Bonds4

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

N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62003718) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62003718
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)N(C)c2ccccc2C)c1
InChIInChI=1S/C17H22N2/c1-13-7-6-9-15(11-13)17(12-18)19(3)16-10-5-4-8-14(16)2/h4-11,17H,12,18H2,1-3H3
InChIKeyZFESCYBMSSMNBW-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-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 62004095
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
1-(3-bromophenyl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 43104509
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N-methyl-1-(3-methylphenyl)-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114236533
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine (CID 62003718) is N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(C(CN)N(C)c2ccccc2C)c1.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is ZFESCYBMSSMNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-6-9-15(11-13)17(12-18)19(3)16-10-5-4-8-14(16)2/h4-11,17H,12,18H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine?
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-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-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62003718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).