[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol

C14H19ClFNO — CID 114452962

IUPAC[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H19ClFNO/c15-13-4-10(5-14(16)6-13)7-17-8-11-2-1-3-12(11)9-18/h4-6,11-12,17-18H,1-3,7-9H2
InChIKeyMPYHYOQGCIUGOV-UHFFFAOYSA-N
MW271.76 g/mol
LogP2.98
Rot. Bonds5

About [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol

[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 114452962) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID114452962
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H19ClFNO/c15-13-4-10(5-14(16)6-13)7-17-8-11-2-1-3-12(11)9-18/h4-6,11-12,17-18H,1-3,7-9H2
InChIKeyMPYHYOQGCIUGOV-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
[2-[(3,5-difluorophenyl)methylamino]cyclopentyl]methanol
CID 113338463
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879
[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 112652136
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
[1-[(3-chloro-5-fluorophenyl)methylamino]cyclobutyl]methanol
CID 114453179
1-(3-chlorocyclohexyl)-N-[(3,5-difluorophenyl)methyl]methanamine
CID 114146428
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282883
2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 104953775
3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 114452969
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
CID 114452625

Frequently Asked Questions

What is the IUPAC name of [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol (CID 114452962) is [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol is OCC1CCCC1CNCc1cc(F)cc(Cl)c1.
What is the InChIKey of [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is MPYHYOQGCIUGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-13-4-10(5-14(16)6-13)7-17-8-11-2-1-3-12(11)9-18/h4-6,11-12,17-18H,1-3,7-9H2.
What are the key properties of [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 271.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 114452962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).