2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine

C16H20N2 — CID 115124548

IUPAC2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(CCNc2ccccc2N)cc1C
InChIInChI=1S/C16H20N2/c1-12-7-8-14(11-13(12)2)9-10-18-16-6-4-3-5-15(16)17/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyBUPXOSDFFDJOOB-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.54
Rot. Bonds4

About 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine

2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 115124548) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
PubChem CID115124548
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(CCNc2ccccc2N)cc1C
InChIInChI=1S/C16H20N2/c1-12-7-8-14(11-13(12)2)9-10-18-16-6-4-3-5-15(16)17/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyBUPXOSDFFDJOOB-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
N'-[2-(3,4-dimethylphenyl)ethyl]methanediamine
CID 115225997
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 107844867
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
2-(2-aminoanilino)ethanethiol
CID 10773435
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115124450

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine (CID 115124548) is 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine is Cc1ccc(CCNc2ccccc2N)cc1C.
What is the InChIKey of 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is BUPXOSDFFDJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-7-8-14(11-13(12)2)9-10-18-16-6-4-3-5-15(16)17/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine?
2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115124548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).