2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol

C17H27NO2 — CID 64929998

IUPAC2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCCC1O)c1ccccc1OC
InChIInChI=1S/C17H27NO2/c1-3-15(14-9-5-7-11-17(14)20-2)18-12-13-8-4-6-10-16(13)19/h5,7,9,11,13,15-16,18-19H,3-4,6,8,10,12H2,1-2H3
InChIKeyUZWPQQWLOBKDHM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds6

About 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol

2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 64929998) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID64929998
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC(NCC1CCCCC1O)c1ccccc1OC
InChIInChI=1S/C17H27NO2/c1-3-15(14-9-5-7-11-17(14)20-2)18-12-13-8-4-6-10-16(13)19/h5,7,9,11,13,15-16,18-19H,3-4,6,8,10,12H2,1-2H3
InChIKeyUZWPQQWLOBKDHM-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637287
1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 80554157
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358414
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81387812
1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
CID 115692774
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103782832
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol (CID 64929998) is 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol is CCC(NCC1CCCCC1O)c1ccccc1OC.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is UZWPQQWLOBKDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-15(14-9-5-7-11-17(14)20-2)18-12-13-8-4-6-10-16(13)19/h5,7,9,11,13,15-16,18-19H,3-4,6,8,10,12H2,1-2H3.
What are the key properties of 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol?
2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).