1-(2-amino-5-bromophenyl)hexan-1-ol

C12H18BrNO — CID 82703402

IUPAC1-(2-amino-5-bromophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(Br)ccc1N
InChIInChI=1S/C12H18BrNO/c1-2-3-4-5-12(15)10-8-9(13)6-7-11(10)14/h6-8,12,15H,2-5,14H2,1H3
InChIKeyCGQXCMPAJCPIFF-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.64
Rot. Bonds5

About 1-(2-amino-5-bromophenyl)hexan-1-ol

1-(2-amino-5-bromophenyl)hexan-1-ol (PubChem CID 82703402) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)hexan-1-ol
PubChem CID82703402
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(2-amino-5-bromophenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(Br)ccc1N
InChIInChI=1S/C12H18BrNO/c1-2-3-4-5-12(15)10-8-9(13)6-7-11(10)14/h6-8,12,15H,2-5,14H2,1H3
InChIKeyCGQXCMPAJCPIFF-UHFFFAOYSA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
4-bromo-2-(1-hydrazinyloctyl)aniline
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1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol
CID 114474018
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(7-bromonaphthalen-1-yl)hexan-1-ol
CID 102243585
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
2-[(1S)-1-aminohexyl]-5-bromophenol;hydrochloride
CID 171224277
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
1-(2-amino-5-methylphenyl)butan-1-ol
CID 112541135
(1R)-1-(5-bromo-2-methylphenyl)hexan-1-amine;hydrochloride
CID 171203851

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)hexan-1-ol?
The IUPAC name of 1-(2-amino-5-bromophenyl)hexan-1-ol (CID 82703402) is 1-(2-amino-5-bromophenyl)hexan-1-ol.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)hexan-1-ol?
The canonical SMILES for 1-(2-amino-5-bromophenyl)hexan-1-ol is CCCCCC(O)c1cc(Br)ccc1N.
What is the InChIKey of 1-(2-amino-5-bromophenyl)hexan-1-ol?
The InChIKey is CGQXCMPAJCPIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-3-4-5-12(15)10-8-9(13)6-7-11(10)14/h6-8,12,15H,2-5,14H2,1H3.
What are the key properties of 1-(2-amino-5-bromophenyl)hexan-1-ol?
1-(2-amino-5-bromophenyl)hexan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)hexan-1-ol is sourced from PubChem (CID 82703402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).