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

C15H15ClN2O2 — CID 82140004

IUPAC2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine
SMILESNCC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-14-3-1-2-12(9-14)13(10-17)8-11-4-6-15(7-5-11)18(19)20/h1-7,9,13H,8,10,17H2
InChIKeyNKKLKBUXCATLAE-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.53
Rot. Bonds5

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

2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine (PubChem CID 82140004) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine
PubChem CID82140004
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine
SMILESNCC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-14-3-1-2-12(9-14)13(10-17)8-11-4-6-15(7-5-11)18(19)20/h1-7,9,13H,8,10,17H2
InChIKeyNKKLKBUXCATLAE-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
CID 65017477
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
1-[1-chloro-2-(4-nitrophenyl)ethyl]-3-iodobenzene
CID 55224253
(2R)-2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 97000933
2-methyl-3-(4-nitrophenyl)propan-1-amine
CID 83637269
1-chloro-2-(4-nitrophenyl)ethanamine
CID 70573232
1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
2-[(2S)-2-amino-2-(3-chlorophenyl)ethyl]-N-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 140687976
2-(2-methoxy-5-propan-2-ylphenyl)-3-(4-nitrophenyl)propan-1-amine
CID 82140023
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine (CID 82140004) is 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine is NCC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine?
The InChIKey is NKKLKBUXCATLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-3-1-2-12(9-14)13(10-17)8-11-4-6-15(7-5-11)18(19)20/h1-7,9,13H,8,10,17H2.
What are the key properties of 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine?
2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine has a molecular weight of 290.75 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine is sourced from PubChem (CID 82140004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).