[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol

C13H17F2NO — CID 113338463

IUPAC[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c14-11-4-9(5-12(15)6-11)7-16-13-3-1-2-10(13)8-17/h4-6,10,13,16-17H,1-3,7-8H2
InChIKeySWOXVWUDQSZCAD-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.22
Rot. Bonds4

About [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol

[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol (PubChem CID 113338463) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
PubChem CID113338463
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c14-11-4-9(5-12(15)6-11)7-16-13-3-1-2-10(13)8-17/h4-6,10,13,16-17H,1-3,7-8H2
InChIKeySWOXVWUDQSZCAD-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-cyclopropylphenyl)methylamino]cyclopentyl]methanol
CID 106359397
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
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[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
2-fluoro-5-[[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
CID 99610411
N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 105403288
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 114452962
[2-(furan-3-ylmethylamino)cycloheptyl]methanol
CID 115691389
[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]cyclopentyl]methanol
CID 103838416
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol (CID 113338463) is [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol is OCC1CCCC1NCc1cc(F)cc(F)c1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol?
The InChIKey is SWOXVWUDQSZCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-4-9(5-12(15)6-11)7-16-13-3-1-2-10(13)8-17/h4-6,10,13,16-17H,1-3,7-8H2.
What are the key properties of [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol?
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol has a molecular weight of 241.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 113338463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).