[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine

C15H23NO2 — CID 103566012

IUPAC[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OC2CCCC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-4-3-5-13(6-11)18-15-8-12(10-16)7-14(9-15)17-2/h7-9,11,13H,3-6,10,16H2,1-2H3
InChIKeyVNHWWNXVHZZUJX-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds4

About [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine

[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine (PubChem CID 103566012) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine
PubChem CID103566012
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OC2CCCC(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-11-4-3-5-13(6-11)18-15-8-12(10-16)7-14(9-15)17-2/h7-9,11,13H,3-6,10,16H2,1-2H3
InChIKeyVNHWWNXVHZZUJX-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-Dimethoxyphenyl)methanamine
CID 420973
3,4,5-Trimethoxybenzylamine
CID 87736
1-(3-Isopropoxyphenyl)methanamine
CID 2760935
4-[(3,5-Dimethoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 2842914
2-(2-Methoxy-4-phenethyloxy-phenyl)-ethylamine
CID 11043879
O-(m,m-dimethoxy)benzyl-tyramine
CID 11492984
(2,6-Dipropoxyphenyl)methanamine;hydrochloride
CID 19835678
(2,6-Diethoxyphenyl)methanamine hydrochloride
CID 19835684
(2,6-Dibutoxyphenyl)methanamine;hydrochloride
CID 19835688
3,5-Dimethoxyphenethylamine
CID 137857
2,6-Dimethoxybenzylamine
CID 2800872
N-benzyl-N-(3,5-dimethoxybenzyl)ethanamine
CID 783617

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine (CID 103566012) is [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine is COc1cc(CN)cc(OC2CCCC(C)C2)c1.
What is the InChIKey of [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is VNHWWNXVHZZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-3-5-13(6-11)18-15-8-12(10-16)7-14(9-15)17-2/h7-9,11,13H,3-6,10,16H2,1-2H3.
What are the key properties of [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine?
[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 103566012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).