3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine

C14H20N2O2 — CID 43317674

IUPAC3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H20N2O2/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16(17)18/h2-3,6,8,11,13,15H,4-5,7,9-10H2,1H3
InChIKeyRNSAUYYUWNMCGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.26
Rot. Bonds4

About 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine

3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine (PubChem CID 43317674) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
PubChem CID43317674
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C14H20N2O2/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16(17)18/h2-3,6,8,11,13,15H,4-5,7,9-10H2,1H3
InChIKeyRNSAUYYUWNMCGZ-UHFFFAOYSA-N
XLogP3.26
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.26
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 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine 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

2-[[(3-methylcyclohexyl)amino]methyl]-6-nitrobenzoic acid
CID 103237709
N-[(2-nitrophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747379
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 107349489
N-[(2-bromo-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 114048779
3-methylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926173
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
3-ethylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926221
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
8-tert-butyl-N-[(2-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 58964801
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 43508989

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine (CID 43317674) is 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine is CC1CCCC(NCc2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine?
The InChIKey is RNSAUYYUWNMCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16(17)18/h2-3,6,8,11,13,15H,4-5,7,9-10H2,1H3.
What are the key properties of 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine?
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43317674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).