2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol

C13H17BrClNO — CID 114077187

IUPAC2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
SMILESOCC(NC1CCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNO/c14-11-6-5-9(7-12(11)15)13(8-17)16-10-3-1-2-4-10/h5-7,10,13,16-17H,1-4,8H2
InChIKeyXJPVDWSURYNDAC-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol

2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol (PubChem CID 114077187) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
PubChem CID114077187
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
SMILESOCC(NC1CCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClNO/c14-11-6-5-9(7-12(11)15)13(8-17)16-10-3-1-2-4-10/h5-7,10,13,16-17H,1-4,8H2
InChIKeyXJPVDWSURYNDAC-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol
CID 130740818
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
4-[1-(cyclopentylamino)-2-hydroxyethyl]phenol
CID 61056997
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(cyclopropylamino)ethanol
CID 112512979
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
2-(cyclopropylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82289327
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
(2S)-2-(4-bromo-3-chlorophenyl)-2-cyclopentylacetic acid
CID 125466613
4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
CID 61054148
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol
CID 141286035

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol (CID 114077187) is 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol is OCC(NC1CCCC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol?
The InChIKey is XJPVDWSURYNDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c14-11-6-5-9(7-12(11)15)13(8-17)16-10-3-1-2-4-10/h5-7,10,13,16-17H,1-4,8H2.
What are the key properties of 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol?
2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol has a molecular weight of 318.64 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol is sourced from PubChem (CID 114077187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).