[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol

C17H27NO2 — CID 115358414

IUPAC[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
SMILESCCC(NCC1(CO)CCCC1)c1ccccc1OC
InChIInChI=1S/C17H27NO2/c1-3-15(14-8-4-5-9-16(14)20-2)18-12-17(13-19)10-6-7-11-17/h4-5,8-9,15,18-19H,3,6-7,10-13H2,1-2H3
InChIKeyFDDKCEXCWAXVGS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds7

About [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol

[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol (PubChem CID 115358414) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
PubChem CID115358414
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
SMILESCCC(NCC1(CO)CCCC1)c1ccccc1OC
InChIInChI=1S/C17H27NO2/c1-3-15(14-8-4-5-9-16(14)20-2)18-12-17(13-19)10-6-7-11-17/h4-5,8-9,15,18-19H,3,6-7,10-13H2,1-2H3
InChIKeyFDDKCEXCWAXVGS-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
CID 115692774
3-[[1-(2-methoxyphenyl)propylamino]methyl]oxolan-3-ol
CID 103904872
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
CID 99820181
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929998

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol (CID 115358414) is [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol is CCC(NCC1(CO)CCCC1)c1ccccc1OC.
What is the InChIKey of [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol?
The InChIKey is FDDKCEXCWAXVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-15(14-8-4-5-9-16(14)20-2)18-12-17(13-19)10-6-7-11-17/h4-5,8-9,15,18-19H,3,6-7,10-13H2,1-2H3.
What are the key properties of [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol?
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).