[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine

C17H27NO2 — CID 64749837

IUPAC[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OC2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-3-10-19-16-9-6-14(12-18)17(11-16)20-15-7-4-13(2)5-8-15/h6,9,11,13,15H,3-5,7-8,10,12,18H2,1-2H3
InChIKeyRHHOBFHCSYCEJS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.89
Rot. Bonds6

About [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine

[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine (PubChem CID 64749837) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
PubChem CID64749837
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OC2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-3-10-19-16-9-6-14(12-18)17(11-16)20-15-7-4-13(2)5-8-15/h6,9,11,13,15H,3-5,7-8,10,12,18H2,1-2H3
InChIKeyRHHOBFHCSYCEJS-UHFFFAOYSA-N
XLogP3.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
2-[2-(oxan-4-yloxy)-4-propoxyphenyl]ethanamine
CID 63936099
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
1-(bromomethyl)-2-(3,5-dimethylcyclohexyl)oxy-4-propoxybenzene
CID 64737684
4-[2-(aminomethyl)-5-propoxyphenoxy]-1,1-dioxothiolan-3-ol
CID 60888034
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488754

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine?
The IUPAC name of [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine (CID 64749837) is [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OC2CCC(C)CC2)c1.
What is the InChIKey of [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine?
The InChIKey is RHHOBFHCSYCEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-10-19-16-9-6-14(12-18)17(11-16)20-15-7-4-13(2)5-8-15/h6,9,11,13,15H,3-5,7-8,10,12,18H2,1-2H3.
What are the key properties of [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine?
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine is sourced from PubChem (CID 64749837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).