2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol

C14H20BrNO — CID 60714831

IUPAC2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-10(11-6-2-3-7-12(11)15)16-13-8-4-5-9-14(13)17/h2-3,6-7,10,13-14,16-17H,4-5,8-9H2,1H3
InChIKeyYCXAWWCYGBZUFY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.40
Rot. Bonds3

About 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol

2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 60714831) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
PubChem CID60714831
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-10(11-6-2-3-7-12(11)15)16-13-8-4-5-9-14(13)17/h2-3,6-7,10,13-14,16-17H,4-5,8-9H2,1H3
InChIKeyYCXAWWCYGBZUFY-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81382952
2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
CID 113261573
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536151
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol (CID 60714831) is 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCCC1O)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is YCXAWWCYGBZUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(11-6-2-3-7-12(11)15)16-13-8-4-5-9-14(13)17/h2-3,6-7,10,13-14,16-17H,4-5,8-9H2,1H3.
What are the key properties of 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol?
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 60714831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).