[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol

C15H21ClFNO — CID 115358450

IUPAC[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCC(NCC1(CO)CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFNO/c1-11(12-4-5-14(17)13(16)8-12)18-9-15(10-19)6-2-3-7-15/h4-5,8,11,18-19H,2-3,6-7,9-10H2,1H3
InChIKeyVDBQVHGJPDLKJT-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.68
Rot. Bonds5

About [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol

[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol (PubChem CID 115358450) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
PubChem CID115358450
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCC(NCC1(CO)CCCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFNO/c1-11(12-4-5-14(17)13(16)8-12)18-9-15(10-19)6-2-3-7-15/h4-5,8,11,18-19H,2-3,6-7,9-10H2,1H3
InChIKeyVDBQVHGJPDLKJT-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
CID 114095532
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 114107390
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
methyl 3-[1-(3-chloro-4-fluorophenyl)ethylamino]propanoate
CID 43139693
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide
CID 75442811

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol (CID 115358450) is [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol is CC(NCC1(CO)CCCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol?
The InChIKey is VDBQVHGJPDLKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-11(12-4-5-14(17)13(16)8-12)18-9-15(10-19)6-2-3-7-15/h4-5,8,11,18-19H,2-3,6-7,9-10H2,1H3.
What are the key properties of [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol?
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol has a molecular weight of 285.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).