[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol

C13H17BrClNO — CID 115683768

IUPAC[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H17BrClNO/c14-11-4-3-10(12(15)7-11)8-16-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9H2
InChIKeyHMTBNHXMAQYMGI-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.50
Rot. Bonds4

About [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol

[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol (PubChem CID 115683768) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
PubChem CID115683768
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H17BrClNO/c14-11-4-3-10(12(15)7-11)8-16-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9H2
InChIKeyHMTBNHXMAQYMGI-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[(5-bromo-2-chlorophenyl)methylamino]pentan-1-ol
CID 97234673
[1-[(2-Chloro-4-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62518313
[1-[(4-Bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62522578
[1-[(2-Chloro-6-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62524466
[1-[(4-Bromo-3-fluorophenyl)methylamino]cyclopentyl]methanol
CID 81002177
2-(4-Bromo-2-chlorophenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 82779655
3-[(4-Bromo-2-chlorophenyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 103698720
3-[(4-Bromo-2-chlorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731463
3-[(4-Bromo-2-chlorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857655
3-[1-(4-Bromo-2-chlorophenyl)ethylamino]-1,1-difluoropropan-2-ol
CID 105644352
3-[1-(4-Bromo-2-chlorophenyl)ethylamino]-2,2-difluoropropan-1-ol
CID 106172989
2-[[3-(4-Bromo-2-chlorophenyl)-3-(methylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486514

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol (CID 115683768) is [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol is OCC1(NCc2ccc(Br)cc2Cl)CCCC1.
What is the InChIKey of [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol?
The InChIKey is HMTBNHXMAQYMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c14-11-4-3-10(12(15)7-11)8-16-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9H2.
What are the key properties of [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol?
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol has a molecular weight of 318.64 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 115683768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).