1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol

C15H22BrNO — CID 79860860

IUPAC1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
SMILESCC1(C)CCCC1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-15(2)8-4-7-14(15)17-10-13(18)11-5-3-6-12(16)9-11/h3,5-6,9,13-14,17-18H,4,7-8,10H2,1-2H3
InChIKeyVWBYFGJOIPFFPV-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol

1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol (PubChem CID 79860860) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
PubChem CID79860860
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
SMILESCC1(C)CCCC1NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-15(2)8-4-7-14(15)17-10-13(18)11-5-3-6-12(16)9-11/h3,5-6,9,13-14,17-18H,4,7-8,10H2,1-2H3
InChIKeyVWBYFGJOIPFFPV-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
CID 79870628
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79856738
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
1-(3-bromophenyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethanol
CID 65470485
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
CID 79861761
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol (CID 79860860) is 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol is CC1(C)CCCC1NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
The InChIKey is VWBYFGJOIPFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2)8-4-7-14(15)17-10-13(18)11-5-3-6-12(16)9-11/h3,5-6,9,13-14,17-18H,4,7-8,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol?
1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol has a molecular weight of 312.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol is sourced from PubChem (CID 79860860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).