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

C15H17ClN2 — CID 55147569

IUPAC3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2/c1-10-14(17)7-4-8-15(10)18-11(2)12-5-3-6-13(16)9-12/h3-9,11,18H,17H2,1-2H3
InChIKeyLXMVSOLVCUFHMM-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.40
Rot. Bonds3

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

3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine (PubChem CID 55147569) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
PubChem CID55147569
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2/c1-10-14(17)7-4-8-15(10)18-11(2)12-5-3-6-13(16)9-12/h3-9,11,18H,17H2,1-2H3
InChIKeyLXMVSOLVCUFHMM-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

4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
methyl 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzoate
CID 82776037
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
N-[1-(3-chlorophenyl)ethyl]-3-hydrazinyl-2-nitroaniline
CID 80901418

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine (CID 55147569) is 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine is Cc1c(N)cccc1NC(C)c1cccc(Cl)c1.
What is the InChIKey of 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
The InChIKey is LXMVSOLVCUFHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-14(17)7-4-8-15(10)18-11(2)12-5-3-6-13(16)9-12/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine?
3-N-[1-(3-chlorophenyl)ethyl]-2-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 3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine is sourced from PubChem (CID 55147569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).