[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine

C17H27NO2 — CID 43293990

IUPAC[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2ccccc2OC)C1
InChIInChI=1S/C17H27NO2/c1-3-6-13-9-10-14(12-18)17(11-13)20-16-8-5-4-7-15(16)19-2/h4-5,7-8,13-14,17H,3,6,9-12,18H2,1-2H3
InChIKeyXHMDWOIYAZFAKT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds6

About [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine

[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine (PubChem CID 43293990) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
PubChem CID43293990
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Oc2ccccc2OC)C1
InChIInChI=1S/C17H27NO2/c1-3-6-13-9-10-14(12-18)17(11-13)20-16-8-5-4-7-15(16)19-2/h4-5,7-8,13-14,17H,3,6,9-12,18H2,1-2H3
InChIKeyXHMDWOIYAZFAKT-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4500
Benzenepropanamine, gamma-(2-methoxyphenoxy)-N-methyl-, hydrochloride (1:1)
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Benzeneethanamine, 3,4-bis(phenylmethoxy)-, hydrochloride (1:1)
CID 2723941
(3H)nisoxetine
CID 53323310
(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine
CID 71562265
3,4-Bis(benzyloxy)phenethylamine hydrochloride
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1-(4-Methoxy-3-phenethyloxy-benzyl)-pentylamine
CID 10616210
1-(4-Methoxy-3-phenethyloxy-benzyl)-heptylamine
CID 10618199
1-(4-Methoxy-3-phenethyloxy-benzyl)-octylamine
CID 10642861
3-(2-Methoxyphenoxy)-3-phenylpropan-1-amine
CID 11601316
1-(4-Methoxy-3-phenethyloxy-benzyl)-nonylamine
CID 11794387

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine (CID 43293990) is [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Oc2ccccc2OC)C1.
What is the InChIKey of [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is XHMDWOIYAZFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-6-13-9-10-14(12-18)17(11-13)20-16-8-5-4-7-15(16)19-2/h4-5,7-8,13-14,17H,3,6,9-12,18H2,1-2H3.
What are the key properties of [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine?
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 43293990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).