1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine

C15H22N2O3 — CID 65421156

IUPAC1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CC1(N)CCCC(C)C1
InChIInChI=1S/C15H22N2O3/c1-11-4-3-7-15(16,9-11)10-12-8-13(17(18)19)5-6-14(12)20-2/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3
InChIKeyGNARQJQMDNULFS-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.05
Rot. Bonds4

About 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine

1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 65421156) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID65421156
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CC1(N)CCCC(C)C1
InChIInChI=1S/C15H22N2O3/c1-11-4-3-7-15(16,9-11)10-12-8-13(17(18)19)5-6-14(12)20-2/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3
InChIKeyGNARQJQMDNULFS-UHFFFAOYSA-N
XLogP3.05
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-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

1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
CID 65020246
1-[(2-bromo-4-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 65420517
3-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420937
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 2988984
2-[(2-methoxy-5-nitrophenyl)methyl]thiolane-2-carboxylic acid
CID 83174589
[3-[(2-methoxy-5-nitrophenyl)methyl]oxolan-3-yl]methanamine
CID 65393020
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450061
4-[(2-methoxy-5-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 63129673
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine (CID 65421156) is 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine is COc1ccc([N+](=O)[O-])cc1CC1(N)CCCC(C)C1.
What is the InChIKey of 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is GNARQJQMDNULFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-3-7-15(16,9-11)10-12-8-13(17(18)19)5-6-14(12)20-2/h5-6,8,11H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine?
1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 65421156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).