1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol

C14H22BrNO — CID 65188289

IUPAC1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
SMILESCC(C)(C)CC(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-14(2,3)8-13(17)12(9-16)10-5-4-6-11(15)7-10/h4-7,12-13,17H,8-9,16H2,1-3H3
InChIKeyFZDAADSQZVCTFC-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.29
Rot. Bonds4

About 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol

1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol (PubChem CID 65188289) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
PubChem CID65188289
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
SMILESCC(C)(C)CC(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-14(2,3)8-13(17)12(9-16)10-5-4-6-11(15)7-10/h4-7,12-13,17H,8-9,16H2,1-3H3
InChIKeyFZDAADSQZVCTFC-UHFFFAOYSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65187606
1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol
CID 65188291
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol?
The IUPAC name of 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol (CID 65188289) is 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol?
The canonical SMILES for 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol is CC(C)(C)CC(O)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol?
The InChIKey is FZDAADSQZVCTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-14(2,3)8-13(17)12(9-16)10-5-4-6-11(15)7-10/h4-7,12-13,17H,8-9,16H2,1-3H3.
What are the key properties of 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol?
1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol has a molecular weight of 300.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol is sourced from PubChem (CID 65188289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).