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

C14H15ClN2 — CID 115468497

IUPAC4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCCc1ccccc1
InChIInChI=1S/C14H15ClN2/c15-12-6-7-13(16)14(10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeySNNGVQRTXJDOLP-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.58
Rot. Bonds4

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

4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine (PubChem CID 115468497) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
PubChem CID115468497
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCCc1ccccc1
InChIInChI=1S/C14H15ClN2/c15-12-6-7-13(16)14(10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeySNNGVQRTXJDOLP-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.58
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-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
4-chloro-2-N-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diamine
CID 115468478
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride
CID 22125505
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine (CID 115468497) is 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine is Nc1ccc(Cl)cc1NCCc1ccccc1.
What is the InChIKey of 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine?
The InChIKey is SNNGVQRTXJDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-12-6-7-13(16)14(10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2.
What are the key properties of 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine?
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine has a molecular weight of 246.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine is sourced from PubChem (CID 115468497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).