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

C15H22N2O3 — CID 81154660

IUPAC2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Cc1cc(OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-16-15-6-4-3-5-12(15)7-11-8-13(17(18)19)10-14(9-11)20-2/h8-10,12,15-16H,3-7H2,1-2H3
InChIKeyBKMZNHQCDDVHBO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.92
Rot. Bonds5

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

2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 81154660) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID81154660
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Cc1cc(OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-16-15-6-4-3-5-12(15)7-11-8-13(17(18)19)10-14(9-11)20-2/h8-10,12,15-16H,3-7H2,1-2H3
InChIKeyBKMZNHQCDDVHBO-UHFFFAOYSA-N
XLogP2.92
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.92
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'}

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Related Compounds

2-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-ol
CID 81165740
N-ethyl-3-[(3-methoxy-5-nitrophenyl)methyl]oxan-4-amine
CID 106469361
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770
1-[(2-bromo-5-methylcyclohexyl)methyl]-3-methoxy-5-nitrobenzene
CID 81166119
trans-(1R,2R)-2-N-(3-methoxy-5-nitrophenyl)cyclohexane-1,2-diamine
CID 102738670
4-ethyl-2-[(3-methoxy-5-nitrophenyl)methyl]cyclohexan-1-ol
CID 81159014
N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 81155477
1-cyclopropyl-3-(3-methoxy-5-nitrophenyl)propan-1-one
CID 81155288
2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 105404534
[2-[(3-methoxy-5-nitrophenoxy)methyl]cyclopentyl]methanamine
CID 80744445
2-[cyclopentyl-[(3-methoxy-5-nitrophenyl)methyl]amino]acetonitrile
CID 81144858
N-[(3-methoxy-5-nitrophenyl)methyl]oxan-3-amine
CID 81154406

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine (CID 81154660) is 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1Cc1cc(OC)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is BKMZNHQCDDVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-15-6-4-3-5-12(15)7-11-8-13(17(18)19)10-14(9-11)20-2/h8-10,12,15-16H,3-7H2,1-2H3.
What are the key properties of 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine?
2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-5-nitrophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 81154660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).