[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol

C17H27NO2 — CID 115358849

IUPAC[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCCCOc1cccc(CNCC2(CO)CCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-10-20-16-7-5-6-15(11-16)12-18-13-17(14-19)8-3-4-9-17/h5-7,11,18-19H,2-4,8-10,12-14H2,1H3
InChIKeyCXUGFUFUKMESPS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.12
Rot. Bonds8

About [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol

[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 115358849) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID115358849
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCCCOc1cccc(CNCC2(CO)CCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-10-20-16-7-5-6-15(11-16)12-18-13-17(14-19)8-3-4-9-17/h5-7,11,18-19H,2-4,8-10,12-14H2,1H3
InChIKeyCXUGFUFUKMESPS-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
CID 103743629
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
CID 115358989
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
3-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethoxy]benzoic acid
CID 103260315
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol (CID 115358849) is [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol is CCCOc1cccc(CNCC2(CO)CCCC2)c1.
What is the InChIKey of [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is CXUGFUFUKMESPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-10-20-16-7-5-6-15(11-16)12-18-13-17(14-19)8-3-4-9-17/h5-7,11,18-19H,2-4,8-10,12-14H2,1H3.
What are the key properties of [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).