1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine

C15H17ClN2 — CID 55132685

IUPAC1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
SMILESCc1ccc(NC(C)c2ccccc2Cl)cc1N
InChIInChI=1S/C15H17ClN2/c1-10-7-8-12(9-15(10)17)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,17H2,1-2H3
InChIKeyGGEVVHZPVGAKQS-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.40
Rot. Bonds3

About 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine

1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine (PubChem CID 55132685) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
PubChem CID55132685
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
SMILESCc1ccc(NC(C)c2ccccc2Cl)cc1N
InChIInChI=1S/C15H17ClN2/c1-10-7-8-12(9-15(10)17)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,17H2,1-2H3
InChIKeyGGEVVHZPVGAKQS-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.40
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

3-N-[1-(2-chlorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647468
N-[4-[1-(2-chlorophenyl)ethylamino]-2-methylphenyl]acetamide
CID 43672852
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
4-[1-(2-aminophenyl)ethylamino]-2-chlorobenzonitrile
CID 55151861
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
CID 62911996

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine (CID 55132685) is 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine is Cc1ccc(NC(C)c2ccccc2Cl)cc1N.
What is the InChIKey of 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine?
The InChIKey is GGEVVHZPVGAKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-7-8-12(9-15(10)17)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine?
1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 55132685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).