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

C15H22N2O3 — CID 2988984

IUPACN-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CNC1CCCCC1C
InChIInChI=1S/C15H22N2O3/c1-11-5-3-4-6-14(11)16-10-12-9-13(17(18)19)7-8-15(12)20-2/h7-9,11,14,16H,3-6,10H2,1-2H3
InChIKeyAZGRRMFLIVWBTP-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.27
Rot. Bonds5

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

N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 2988984) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID2988984
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CNC1CCCCC1C
InChIInChI=1S/C15H22N2O3/c1-11-5-3-4-6-14(11)16-10-12-9-13(17(18)19)7-8-15(12)20-2/h7-9,11,14,16H,3-6,10H2,1-2H3
InChIKeyAZGRRMFLIVWBTP-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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

N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
cis-(1R,2S)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 792195
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
N-[(2-methoxy-5-nitrophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715159
N-[(2-methoxy-5-nitrophenyl)methyl]-1,1-dioxothian-4-amine
CID 43615162
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
2-[(2-methoxy-5-nitrophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633182
N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
CID 83013548
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 62102230
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine (CID 2988984) is N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine is COc1ccc([N+](=O)[O-])cc1CNC1CCCCC1C.
What is the InChIKey of N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is AZGRRMFLIVWBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-5-3-4-6-14(11)16-10-12-9-13(17(18)19)7-8-15(12)20-2/h7-9,11,14,16H,3-6,10H2,1-2H3.
What are the key properties of N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine?
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 2988984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).