[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol

C17H27NO — CID 115358847

IUPAC[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)C(NCC1(CO)CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)16(15-8-4-3-5-9-15)18-12-17(13-19)10-6-7-11-17/h3-5,8-9,14,16,18-19H,6-7,10-13H2,1-2H3
InChIKeyYILMNTUAETVTBW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.53
Rot. Bonds6

About [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol

[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol (PubChem CID 115358847) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
PubChem CID115358847
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)C(NCC1(CO)CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)16(15-8-4-3-5-9-15)18-12-17(13-19)10-6-7-11-17/h3-5,8-9,14,16,18-19H,6-7,10-13H2,1-2H3
InChIKeyYILMNTUAETVTBW-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclopentyl]methanol
CID 113293621
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81413063
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-phenylacetate
CID 81399531
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
CID 113293779
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol (CID 115358847) is [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol is CC(C)C(NCC1(CO)CCCC1)c1ccccc1.
What is the InChIKey of [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is YILMNTUAETVTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)16(15-8-4-3-5-9-15)18-12-17(13-19)10-6-7-11-17/h3-5,8-9,14,16,18-19H,6-7,10-13H2,1-2H3.
What are the key properties of [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol?
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).