N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine

C15H15ClN2O2 — CID 63746803

IUPACN-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2c(Cl)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15ClN2O2/c1-11-5-7-12(8-6-11)9-17-10-13-14(16)3-2-4-15(13)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyRSYMVHJQAPWTKA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.85
Rot. Bonds5

About N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine

N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 63746803) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID63746803
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2c(Cl)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15ClN2O2/c1-11-5-7-12(8-6-11)9-17-10-13-14(16)3-2-4-15(13)18(19)20/h2-8,17H,9-10H2,1H3
InChIKeyRSYMVHJQAPWTKA-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'}

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Related Compounds

N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
N-[(2-chloro-6-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63747503
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 107348887
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63746130
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79357939
N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
CID 63746291
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 63746293
2-bromo-N-[(2-chloro-6-nitrophenyl)methyl]-4-methylaniline
CID 63746450
1-(4-chloro-3-nitrophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 115280467
N-[(2-chloro-6-nitrophenyl)methyl]-2-phenylpropan-1-amine
CID 104591411

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine (CID 63746803) is N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2c(Cl)cccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is RSYMVHJQAPWTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-5-7-12(8-6-11)9-17-10-13-14(16)3-2-4-15(13)18(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)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-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 63746803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).