1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine

C15H15ClN2O2 — CID 82782798

IUPAC1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10(17-2)14-7-6-12(9-15(14)16)11-4-3-5-13(8-11)18(19)20/h3-10,17H,1-2H3
InChIKeyWXDLZJODQFWTJR-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.20
Rot. Bonds4

About 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine

1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine (PubChem CID 82782798) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
PubChem CID82782798
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10(17-2)14-7-6-12(9-15(14)16)11-4-3-5-13(8-11)18(19)20/h3-10,17H,1-2H3
InChIKeyWXDLZJODQFWTJR-UHFFFAOYSA-N
XLogP4.20
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.20
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

N-[1-(2,4-dichlorophenyl)ethyl]-3-nitrobenzamide
CID 4793684
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
N-methyl-1-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 55102490
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
N-methyl-1-[2-methyl-4-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540215
(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865460
[(2R)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7476731
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3,4-dichloro-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43080349
1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
CID 116645117
1-(2-chloro-5-nitrophenyl)-3-[(1S)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943742

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine (CID 82782798) is 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine?
The InChIKey is WXDLZJODQFWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(17-2)14-7-6-12(9-15(14)16)11-4-3-5-13(8-11)18(19)20/h3-10,17H,1-2H3.
What are the key properties of 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine?
1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine has a molecular weight of 290.75 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82782798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).