3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol

C15H22BrNO — CID 65189456

IUPAC3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol
SMILESNCC(c1ccccc1Br)C(O)C1CCCCC1
InChIInChI=1S/C15H22BrNO/c16-14-9-5-4-8-12(14)13(10-17)15(18)11-6-2-1-3-7-11/h4-5,8-9,11,13,15,18H,1-3,6-7,10,17H2
InChIKeyJAXJCCCLBWIQEG-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.43
Rot. Bonds4

About 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol

3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol (PubChem CID 65189456) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol
PubChem CID65189456
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol
SMILESNCC(c1ccccc1Br)C(O)C1CCCCC1
InChIInChI=1S/C15H22BrNO/c16-14-9-5-4-8-12(14)13(10-17)15(18)11-6-2-1-3-7-11/h4-5,8-9,11,13,15,18H,1-3,6-7,10,17H2
InChIKeyJAXJCCCLBWIQEG-UHFFFAOYSA-N
XLogP3.43
TPSA46.25 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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol?
The IUPAC name of 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol (CID 65189456) is 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol?
The canonical SMILES for 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol is NCC(c1ccccc1Br)C(O)C1CCCCC1.
What is the InChIKey of 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol?
The InChIKey is JAXJCCCLBWIQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-14-9-5-4-8-12(14)13(10-17)15(18)11-6-2-1-3-7-11/h4-5,8-9,11,13,15,18H,1-3,6-7,10,17H2.
What are the key properties of 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol?
3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol is sourced from PubChem (CID 65189456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).