[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol

C16H25NO2 — CID 103700313

IUPAC[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
SMILESCC(C)Oc1ccccc1CNC1CCCC1CO
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-9-4-3-6-13(16)10-17-15-8-5-7-14(15)11-18/h3-4,6,9,12,14-15,17-18H,5,7-8,10-11H2,1-2H3
InChIKeyYJBGUULIADSQOV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds6

About [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol

[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol (PubChem CID 103700313) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
PubChem CID103700313
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
SMILESCC(C)Oc1ccccc1CNC1CCCC1CO
InChIInChI=1S/C16H25NO2/c1-12(2)19-16-9-4-3-6-13(16)10-17-15-8-5-7-14(15)11-18/h3-4,6,9,12,14-15,17-18H,5,7-8,10-11H2,1-2H3
InChIKeyYJBGUULIADSQOV-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
CID 113357915
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763475
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
CID 113352464
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485

Frequently Asked Questions

What is the IUPAC name of [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol (CID 103700313) is [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol is CC(C)Oc1ccccc1CNC1CCCC1CO.
What is the InChIKey of [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol?
The InChIKey is YJBGUULIADSQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-16-9-4-3-6-13(16)10-17-15-8-5-7-14(15)11-18/h3-4,6,9,12,14-15,17-18H,5,7-8,10-11H2,1-2H3.
What are the key properties of [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol?
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 103700313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).