N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine

C18H24N2 — CID 54807006

IUPACN'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNCCc2ccccc2)c1C
InChIInChI=1S/C18H24N2/c1-15-7-6-10-18(16(15)2)20-14-13-19-12-11-17-8-4-3-5-9-17/h3-10,19-20H,11-14H2,1-2H3
InChIKeyBUHBAIAMWHZCAH-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.55
Rot. Bonds7

About N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine

N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 54807006) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID54807006
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCc1cccc(NCCNCCc2ccccc2)c1C
InChIInChI=1S/C18H24N2/c1-15-7-6-10-18(16(15)2)20-14-13-19-12-11-17-8-4-3-5-9-17/h3-10,19-20H,11-14H2,1-2H3
InChIKeyBUHBAIAMWHZCAH-UHFFFAOYSA-N
XLogP3.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-methyl-N-(2-phenylethyl)aniline
CID 107629722
N-benzyl-2,3-dimethylaniline;formic acid
CID 175448541
2,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]aniline
CID 43519963
N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809532
N-[2-(2-chloro-3-methylphenyl)ethyl]-2-phenylethanamine
CID 142007864
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2973801
2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797823
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
CID 112839420
N-benzyl-2,3-dimethylaniline;propanoic acid
CID 175448532

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine (CID 54807006) is N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine is Cc1cccc(NCCNCCc2ccccc2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is BUHBAIAMWHZCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-7-6-10-18(16(15)2)20-14-13-19-12-11-17-8-4-3-5-9-17/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54807006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).