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

C14H19ClFNO — CID 112652136

IUPAC[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFNO/c15-14-11(4-2-6-13(14)16)8-17-7-10-3-1-5-12(10)9-18/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyIPIFONQDUXFKTP-UHFFFAOYSA-N
MW271.76 g/mol
LogP2.98
Rot. Bonds5

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

[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 112652136) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID112652136
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNCc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFNO/c15-14-11(4-2-6-13(14)16)8-17-7-10-3-1-5-12(10)9-18/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyIPIFONQDUXFKTP-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

Analyze [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
[2-[(1H-indol-7-ylmethylamino)methyl]cyclopentyl]methanol
CID 102911296
N-[(2-chloro-3-fluorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 112651888
1-(2-chlorocyclopentyl)-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310013
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 114452962
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
2-[(2-chloro-3-fluorophenyl)methyl]cyclopentan-1-amine
CID 112652653
N-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252455
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870

Frequently Asked Questions

What is the IUPAC name of [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol (CID 112652136) is [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol is OCC1CCCC1CNCc1cccc(F)c1Cl.
What is the InChIKey of [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is IPIFONQDUXFKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-14-11(4-2-6-13(14)16)8-17-7-10-3-1-5-12(10)9-18/h2,4,6,10,12,17-18H,1,3,5,7-9H2.
What are the key properties of [2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol?
[2-[[(2-chloro-3-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-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 112652136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).