2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine

C15H15ClN2O2 — CID 2063812

IUPAC2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine
SMILESO=[N+]([O-])c1cccc(CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O2/c16-14-6-4-12(5-7-14)8-9-17-11-13-2-1-3-15(10-13)18(19)20/h1-7,10,17H,8-9,11H2
InChIKeyLEGVWEYPZMWVER-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine (PubChem CID 2063812) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine
PubChem CID2063812
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine
SMILESO=[N+]([O-])c1cccc(CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O2/c16-14-6-4-12(5-7-14)8-9-17-11-13-2-1-3-15(10-13)18(19)20/h1-7,10,17H,8-9,11H2
InChIKeyLEGVWEYPZMWVER-UHFFFAOYSA-N
XLogP3.58
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597
4-[2-[(3-nitrophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294132
N'-[(3-nitrophenyl)methyl]butane-1,4-diamine
CID 60893430
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115762160
N-[(4-bromo-3-chlorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103581646
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 66160947
N-[(3-nitrophenyl)methyl]pent-4-yn-1-amine
CID 115656507
N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 78998989
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
2-bromo-5-chloro-N-[(3-nitrophenyl)methyl]aniline
CID 81264262
N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115982839
N-[(3-nitrophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829172

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine (CID 2063812) is 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine is O=[N+]([O-])c1cccc(CNCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
The InChIKey is LEGVWEYPZMWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-6-4-12(5-7-14)8-9-17-11-13-2-1-3-15(10-13)18(19)20/h1-7,10,17H,8-9,11H2.
What are the key properties of 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine has a molecular weight of 290.75 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 2063812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).