[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol

C14H20FNO2 — CID 103700320

IUPAC[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
SMILESCOc1ccc(CNC2CCCC2CO)cc1F
InChIInChI=1S/C14H20FNO2/c1-18-14-6-5-10(7-12(14)15)8-16-13-4-2-3-11(13)9-17/h5-7,11,13,16-17H,2-4,8-9H2,1H3
InChIKeyACPKHJAWBPDOHD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.08
Rot. Bonds5

About [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol

[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol (PubChem CID 103700320) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
PubChem CID103700320
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
SMILESCOc1ccc(CNC2CCCC2CO)cc1F
InChIInChI=1S/C14H20FNO2/c1-18-14-6-5-10(7-12(14)15)8-16-13-4-2-3-11(13)9-17/h5-7,11,13,16-17H,2-4,8-9H2,1H3
InChIKeyACPKHJAWBPDOHD-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
CID 113338463
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
2-fluoro-5-[[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
CID 99610411
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
[2-[(4-cyclopropylphenyl)methylamino]cyclopentyl]methanol
CID 106359397

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol (CID 103700320) is [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol is COc1ccc(CNC2CCCC2CO)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol?
The InChIKey is ACPKHJAWBPDOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-14-6-5-10(7-12(14)15)8-16-13-4-2-3-11(13)9-17/h5-7,11,13,16-17H,2-4,8-9H2,1H3.
What are the key properties of [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol?
[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 103700320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).