3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol

C14H20BrNO — CID 43751203

IUPAC3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-10(11-5-7-12(15)8-6-11)16-13-3-2-4-14(17)9-13/h5-8,10,13-14,16-17H,2-4,9H2,1H3
InChIKeyWCLUSBLADTWWRZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.40
Rot. Bonds3

About 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol

3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 43751203) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
PubChem CID43751203
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCC(O)C1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-10(11-5-7-12(15)8-6-11)16-13-3-2-4-14(17)9-13/h5-8,10,13-14,16-17H,2-4,9H2,1H3
InChIKeyWCLUSBLADTWWRZ-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

3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64624415
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 82774818
N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81353587
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
N-[(1S)-1-(4-bromophenyl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 81354248

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol (CID 43751203) is 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCC(O)C1)c1ccc(Br)cc1.
What is the InChIKey of 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is WCLUSBLADTWWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(11-5-7-12(15)8-6-11)16-13-3-2-4-14(17)9-13/h5-8,10,13-14,16-17H,2-4,9H2,1H3.
What are the key properties of 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol?
3-[1-(4-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 3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).