1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine

C15H15ClN2O2 — CID 65017477

IUPAC1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-3-1-2-12(8-13)10-14(17)9-11-4-6-15(7-5-11)18(19)20/h1-8,14H,9-10,17H2
InChIKeyHDDMFSUHPQXBLW-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine

1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine (PubChem CID 65017477) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
PubChem CID65017477
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
SMILESNC(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-3-1-2-12(8-13)10-14(17)9-11-4-6-15(7-5-11)18(19)20/h1-8,14H,9-10,17H2
InChIKeyHDDMFSUHPQXBLW-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-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine
CID 82140004
1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine
CID 65019647
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
1-chloro-2-(4-nitrophenyl)ethanamine
CID 70573232
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
3-amino-4-(4-nitrophenyl)butanenitrile
CID 168957812
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62537905
N-[(3-chlorophenyl)methyl]-N-[(4-nitrophenyl)methyl]methanesulfonamide
CID 141467047
1-chloro-2-(3-nitrophenyl)ethanamine;hydrochloride
CID 70459689
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine (CID 65017477) is 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine is NC(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine?
The InChIKey is HDDMFSUHPQXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-3-1-2-12(8-13)10-14(17)9-11-4-6-15(7-5-11)18(19)20/h1-8,14H,9-10,17H2.
What are the key properties of 1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine?
1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-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-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine is sourced from PubChem (CID 65017477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).