4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine

C14H15ClN2 — CID 2922026

IUPAC4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccc(Cl)cc1N)c1ccccc1
InChIInChI=1S/C14H15ClN2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,16H2,1H3
InChIKeyYQIFYGBTRHDLNI-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.10
Rot. Bonds3

About 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine

4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine (PubChem CID 2922026) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine
PubChem CID2922026
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine
SMILESCC(Nc1ccc(Cl)cc1N)c1ccccc1
InChIInChI=1S/C14H15ClN2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,16H2,1H3
InChIKeyYQIFYGBTRHDLNI-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine (CID 2922026) is 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine is CC(Nc1ccc(Cl)cc1N)c1ccccc1.
What is the InChIKey of 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine?
The InChIKey is YQIFYGBTRHDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,16H2,1H3.
What are the key properties of 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine?
4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine has a molecular weight of 246.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(1-phenylethyl)benzene-1,2-diamine is sourced from PubChem (CID 2922026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).