1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine

C15H15ClN2O2 — CID 65019647

IUPAC1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-15-10-14(18(19)20)7-6-12(15)9-13(17)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9,17H2
InChIKeyOUEWEWBOCBPUGW-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine

1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine (PubChem CID 65019647) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine
PubChem CID65019647
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H15ClN2O2/c16-15-10-14(18(19)20)7-6-12(15)9-13(17)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9,17H2
InChIKeyOUEWEWBOCBPUGW-UHFFFAOYSA-N
XLogP3.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-nitrophenyl)pentan-2-amine
CID 63196335
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-amine
CID 63196953
1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
CID 65017477
2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 71917431
1-(2-bromo-4-nitrophenyl)-3-(3-bromophenyl)propan-2-amine
CID 65017842
1-(benzenesulfonylmethyl)-2-chloro-4-nitrobenzene
CID 13256956
2-(2,6-dichloro-4-nitrophenyl)-3-phenylpropanoate
CID 22215636
1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 114382734
(1R)-N-[(2-chloro-4-nitrophenyl)methyl]-1-phenylethanamine
CID 78953005
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
methyl (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 18104474
1-[1-[(2-chloro-4-nitrophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66399070

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine (CID 65019647) is 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine is NC(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine?
The InChIKey is OUEWEWBOCBPUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-15-10-14(18(19)20)7-6-12(15)9-13(17)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9,17H2.
What are the key properties of 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine?
1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine has a molecular weight of 290.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine is sourced from PubChem (CID 65019647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).