[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol

C14H20FNO — CID 113243356

IUPAC[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
SMILESCc1cc(F)ccc1CNC1CCCC1CO
InChIInChI=1S/C14H20FNO/c1-10-7-13(15)6-5-11(10)8-16-14-4-2-3-12(14)9-17/h5-7,12,14,16-17H,2-4,8-9H2,1H3
InChIKeyWYXVSHWPVFYBJW-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.38
Rot. Bonds4

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

[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol (PubChem CID 113243356) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
PubChem CID113243356
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
SMILESCc1cc(F)ccc1CNC1CCCC1CO
InChIInChI=1S/C14H20FNO/c1-10-7-13(15)6-5-11(10)8-16-14-4-2-3-12(14)9-17/h5-7,12,14,16-17H,2-4,8-9H2,1H3
InChIKeyWYXVSHWPVFYBJW-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118
5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361756
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
CID 113338463
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948073
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzene-1,2-diol
CID 113357915
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol (CID 113243356) is [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol is Cc1cc(F)ccc1CNC1CCCC1CO.
What is the InChIKey of [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol?
The InChIKey is WYXVSHWPVFYBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-13(15)6-5-11(10)8-16-14-4-2-3-12(14)9-17/h5-7,12,14,16-17H,2-4,8-9H2,1H3.
What are the key properties of [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol?
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 113243356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).