[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol

C14H19BrClNO — CID 103581870

IUPAC[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2ccc(Br)c(Cl)c2)CCCC1
InChIInChI=1S/C14H19BrClNO/c15-12-4-3-11(7-13(12)16)8-17-9-14(10-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,8-10H2
InChIKeyUQSXYMVPHYJTOF-UHFFFAOYSA-N
MW332.67 g/mol
LogP3.74
Rot. Bonds5

About [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol

[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 103581870) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID103581870
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
SMILESOCC1(CNCc2ccc(Br)c(Cl)c2)CCCC1
InChIInChI=1S/C14H19BrClNO/c15-12-4-3-11(7-13(12)16)8-17-9-14(10-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,8-10H2
InChIKeyUQSXYMVPHYJTOF-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454369
1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103581874
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol (CID 103581870) is [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol is OCC1(CNCc2ccc(Br)c(Cl)c2)CCCC1.
What is the InChIKey of [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is UQSXYMVPHYJTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c15-12-4-3-11(7-13(12)16)8-17-9-14(10-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,8-10H2.
What are the key properties of [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 332.67 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103581870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).