N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine

C16H24N2O3 — CID 79870600

IUPACN-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCCC2(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-16(2)9-5-4-6-15(16)17-11-12-7-8-14(21-3)13(10-12)18(19)20/h7-8,10,15,17H,4-6,9,11H2,1-3H3
InChIKeyGFYJRSLTWFUOFY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.66
Rot. Bonds5

About N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine

N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79870600) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79870600
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCCCC2(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H24N2O3/c1-16(2)9-5-4-6-15(16)17-11-12-7-8-14(21-3)13(10-12)18(19)20/h7-8,10,15,17H,4-6,9,11H2,1-3H3
InChIKeyGFYJRSLTWFUOFY-UHFFFAOYSA-N
XLogP3.66
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.66
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-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881430
4-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile
CID 106787693
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 79831906
N-[(4-methoxy-3-nitrophenyl)methyl]thian-3-amine
CID 115676048
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79871366
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
CID 111425458
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79870600) is N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is COc1ccc(CNC2CCCCC2(C)C)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is GFYJRSLTWFUOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2)9-5-4-6-15(16)17-11-12-7-8-14(21-3)13(10-12)18(19)20/h7-8,10,15,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 292.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79870600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).