1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

C15H15ClN2O2 — CID 61064647

IUPAC1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-17-15(12-3-2-4-13(16)10-12)9-11-5-7-14(8-6-11)18(19)20/h2-8,10,15,17H,9H2,1H3
InChIKeyKJHSGSUSHOUSPQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.75
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (PubChem CID 61064647) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
PubChem CID61064647
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-17-15(12-3-2-4-13(16)10-12)9-11-5-7-14(8-6-11)18(19)20/h2-8,10,15,17H,9H2,1H3
InChIKeyKJHSGSUSHOUSPQ-UHFFFAOYSA-N
XLogP3.75
TPSA55.17 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 ≤ 53.75
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'}

Analyze 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064293
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 82876788
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987
2-(3-chlorophenyl)-3-(4-nitrophenyl)propan-1-amine
CID 82140004
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
CID 61064478
1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
CID 65017477
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063781
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063783

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (CID 61064647) is 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is CNC(Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The InChIKey is KJHSGSUSHOUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-17-15(12-3-2-4-13(16)10-12)9-11-5-7-14(8-6-11)18(19)20/h2-8,10,15,17H,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine has a molecular weight of 290.75 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 61064647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).