2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol

C14H18BrF3N2O — CID 141286035

IUPAC2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol
SMILESNc1c(Br)cc(C(CO)NC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c15-11-6-8(5-10(13(11)19)14(16,17)18)12(7-21)20-9-3-1-2-4-9/h5-6,9,12,20-21H,1-4,7,19H2
InChIKeyBXMDIXZURKUADM-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.62
Rot. Bonds4

About 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol

2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol (PubChem CID 141286035) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol.

Molecular Properties

Compound Name2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol
PubChem CID141286035
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC Name2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol
SMILESNc1c(Br)cc(C(CO)NC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c15-11-6-8(5-10(13(11)19)14(16,17)18)12(7-21)20-9-3-1-2-4-9/h5-6,9,12,20-21H,1-4,7,19H2
InChIKeyBXMDIXZURKUADM-UHFFFAOYSA-N
XLogP3.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 61055172
2-(4-amino-3-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 141286037
4-[1-(cyclopentylamino)-2-hydroxyethyl]phenol
CID 61056997
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384743
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
[4-bromo-3-(trifluoromethyl)phenyl]-cyclopentylmethanol
CID 115840545
2-(thian-3-ylamino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 86787594

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol?
The IUPAC name of 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol (CID 141286035) is 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol.
What is the SMILES notation for 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol?
The canonical SMILES for 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol is Nc1c(Br)cc(C(CO)NC2CCCC2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol?
The InChIKey is BXMDIXZURKUADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c15-11-6-8(5-10(13(11)19)14(16,17)18)12(7-21)20-9-3-1-2-4-9/h5-6,9,12,20-21H,1-4,7,19H2.
What are the key properties of 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol?
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol has a molecular weight of 367.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol is sourced from PubChem (CID 141286035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).