1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol

C17H26BrNO — CID 65186446

IUPAC1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol
SMILESNCC(c1ccc(Br)cc1)C(O)CCC1CCCCC1
InChIInChI=1S/C17H26BrNO/c18-15-9-7-14(8-10-15)16(12-19)17(20)11-6-13-4-2-1-3-5-13/h7-10,13,16-17,20H,1-6,11-12,19H2
InChIKeyCLOXSGFHZXSZNB-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.21
Rot. Bonds6

About 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol

1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol (PubChem CID 65186446) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol
PubChem CID65186446
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol
SMILESNCC(c1ccc(Br)cc1)C(O)CCC1CCCCC1
InChIInChI=1S/C17H26BrNO/c18-15-9-7-14(8-10-15)16(12-19)17(20)11-6-13-4-2-1-3-5-13/h7-10,13,16-17,20H,1-6,11-12,19H2
InChIKeyCLOXSGFHZXSZNB-UHFFFAOYSA-N
XLogP4.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
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1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol
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1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
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(1R)-1-(4-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol?
The IUPAC name of 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol (CID 65186446) is 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol.
What is the SMILES notation for 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol?
The canonical SMILES for 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol is NCC(c1ccc(Br)cc1)C(O)CCC1CCCCC1.
What is the InChIKey of 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol?
The InChIKey is CLOXSGFHZXSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c18-15-9-7-14(8-10-15)16(12-19)17(20)11-6-13-4-2-1-3-5-13/h7-10,13,16-17,20H,1-6,11-12,19H2.
What are the key properties of 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol?
1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol has a molecular weight of 340.31 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol is sourced from PubChem (CID 65186446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).