N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine

C15H23NO2 — CID 117377485

IUPACN-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CNO)cc1C1CCC(C)CC1
InChIInChI=1S/C15H23NO2/c1-11-3-6-13(7-4-11)14-9-12(10-16-17)5-8-15(14)18-2/h5,8-9,11,13,16-17H,3-4,6-7,10H2,1-2H3
InChIKeyPIMDCKYTOZZETE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.47
Rot. Bonds4

About N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine

N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine (PubChem CID 117377485) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
PubChem CID117377485
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CNO)cc1C1CCC(C)CC1
InChIInChI=1S/C15H23NO2/c1-11-3-6-13(7-4-11)14-9-12(10-16-17)5-8-15(14)18-2/h5,8-9,11,13,16-17H,3-4,6-7,10H2,1-2H3
InChIKeyPIMDCKYTOZZETE-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol
CID 117444930
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117371838
[1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117436679
N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315144
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine (CID 117377485) is N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine is COc1ccc(CNO)cc1C1CCC(C)CC1.
What is the InChIKey of N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine?
The InChIKey is PIMDCKYTOZZETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-3-6-13(7-4-11)14-9-12(10-16-17)5-8-15(14)18-2/h5,8-9,11,13,16-17H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine?
N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine has a molecular weight of 249.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117377485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).