N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine

C15H15ClN2O2 — CID 43222892

IUPACN-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
SMILESCc1ccc(CNCc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O2/c1-11-6-7-12(8-15(11)18(19)20)9-17-10-13-4-2-3-5-14(13)16/h2-8,17H,9-10H2,1H3
InChIKeyYWUYKQPIIRRFCS-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.85
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine

N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine (PubChem CID 43222892) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
PubChem CID43222892
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
SMILESCc1ccc(CNCc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15ClN2O2/c1-11-6-7-12(8-15(11)18(19)20)9-17-10-13-4-2-3-5-14(13)16/h2-8,17H,9-10H2,1H3
InChIKeyYWUYKQPIIRRFCS-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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 N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine 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

N-[(2-ethylphenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 64680079
2-(2-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
CID 43224384
1-(4-methyl-3-nitrophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699228
N-[(4-methyl-3-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 43222729
3,3,3-trifluoro-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 63226216
N'-[(4-methyl-3-nitrophenyl)methyl]butane-1,4-diamine
CID 60895806
N-(furan-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222583
5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 107303000
1-(4-chloro-3-nitrophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 115280467
1-(4-methyl-3-nitrophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60960854
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 119123536
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine (CID 43222892) is N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine is Cc1ccc(CNCc2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine?
The InChIKey is YWUYKQPIIRRFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-6-7-12(8-15(11)18(19)20)9-17-10-13-4-2-3-5-14(13)16/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine has a molecular weight of 290.75 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine is sourced from PubChem (CID 43222892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).