N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine

C18H24N2 — CID 54807002

IUPACN-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
SMILESCc1cccc(C)c1NCCNC(C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14-8-7-9-15(2)18(14)20-13-12-19-16(3)17-10-5-4-6-11-17/h4-11,16,19-20H,12-13H2,1-3H3
InChIKeyACNCDLRWHKDYER-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.07
Rot. Bonds6

About N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine

N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 54807002) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
PubChem CID54807002
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
SMILESCc1cccc(C)c1NCCNC(C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14-8-7-9-15(2)18(14)20-13-12-19-16(3)17-10-5-4-6-11-17/h4-11,16,19-20H,12-13H2,1-3H3
InChIKeyACNCDLRWHKDYER-UHFFFAOYSA-N
XLogP4.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-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

N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 12513031
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
4,4-dimethoxy-N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387384
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
2,6-dimethyl-N-(4-methylpentyl)aniline
CID 83156860
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine (CID 54807002) is N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine is Cc1cccc(C)c1NCCNC(C)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is ACNCDLRWHKDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-8-7-9-15(2)18(14)20-13-12-19-16(3)17-10-5-4-6-11-17/h4-11,16,19-20H,12-13H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine?
N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54807002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).