1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

C17H22N2 — CID 43587740

IUPAC1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ccccc1C)c1ccc(C)cc1N
InChIInChI=1S/C17H22N2/c1-4-19(12-15-8-6-5-7-14(15)3)17-10-9-13(2)11-16(17)18/h5-11H,4,12,18H2,1-3H3
InChIKeyLZYCLAVEYFODSJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.91
Rot. Bonds4

About 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (PubChem CID 43587740) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
PubChem CID43587740
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ccccc1C)c1ccc(C)cc1N
InChIInChI=1S/C17H22N2/c1-4-19(12-15-8-6-5-7-14(15)3)17-10-9-13(2)11-16(17)18/h5-11H,4,12,18H2,1-3H3
InChIKeyLZYCLAVEYFODSJ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
CID 82793403
3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587735
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144540155
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (CID 43587740) is 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is CCN(Cc1ccccc1C)c1ccc(C)cc1N.
What is the InChIKey of 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is LZYCLAVEYFODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-19(12-15-8-6-5-7-14(15)3)17-10-9-13(2)11-16(17)18/h5-11H,4,12,18H2,1-3H3.
What are the key properties of 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 43587740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).