3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol

C14H19BrClNO — CID 82774818

IUPAC3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-9(13-6-5-10(15)7-14(13)16)17-11-3-2-4-12(18)8-11/h5-7,9,11-12,17-18H,2-4,8H2,1H3
InChIKeyRBLGVPPARXQADZ-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.06
Rot. Bonds3

About 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol

3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 82774818) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
PubChem CID82774818
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-9(13-6-5-10(15)7-14(13)16)17-11-3-2-4-12(18)8-11/h5-7,9,11-12,17-18H,2-4,8H2,1H3
InChIKeyRBLGVPPARXQADZ-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
CID 82774731
4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 82774115
3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82774176
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
CID 104581360
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427902

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol (CID 82774818) is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCC(O)C1)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is RBLGVPPARXQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-9(13-6-5-10(15)7-14(13)16)17-11-3-2-4-12(18)8-11/h5-7,9,11-12,17-18H,2-4,8H2,1H3.
What are the key properties of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol?
3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 332.67 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 82774818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).