4-amino-4-(3-bromophenyl)pentan-1-ol

C11H16BrNO — CID 116861781

IUPAC4-amino-4-(3-bromophenyl)pentan-1-ol
SMILESCC(N)(CCCO)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-11(13,6-3-7-14)9-4-2-5-10(12)8-9/h2,4-5,8,14H,3,6-7,13H2,1H3
InChIKeyKTRFHLXPGOQBGQ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-4-(3-bromophenyl)pentan-1-ol

4-amino-4-(3-bromophenyl)pentan-1-ol (PubChem CID 116861781) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-amino-4-(3-bromophenyl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-4-(3-bromophenyl)pentan-1-ol
PubChem CID116861781
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-amino-4-(3-bromophenyl)pentan-1-ol
SMILESCC(N)(CCCO)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-11(13,6-3-7-14)9-4-2-5-10(12)8-9/h2,4-5,8,14H,3,6-7,13H2,1H3
InChIKeyKTRFHLXPGOQBGQ-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)-6-methylheptan-2-amine
CID 83158078
2-(3-bromophenyl)-5-methylsulfonylpentan-2-amine
CID 63192343
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
2-(3-bromophenyl)-2-(3,3-dimethylbutyl)propane-1,3-diol
CID 79448373
3-amino-3-(3-bromophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 129071634
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
CID 116861674
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3-bromophenyl)pentan-1-ol?
The IUPAC name of 4-amino-4-(3-bromophenyl)pentan-1-ol (CID 116861781) is 4-amino-4-(3-bromophenyl)pentan-1-ol.
What is the SMILES notation for 4-amino-4-(3-bromophenyl)pentan-1-ol?
The canonical SMILES for 4-amino-4-(3-bromophenyl)pentan-1-ol is CC(N)(CCCO)c1cccc(Br)c1.
What is the InChIKey of 4-amino-4-(3-bromophenyl)pentan-1-ol?
The InChIKey is KTRFHLXPGOQBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(13,6-3-7-14)9-4-2-5-10(12)8-9/h2,4-5,8,14H,3,6-7,13H2,1H3.
What are the key properties of 4-amino-4-(3-bromophenyl)pentan-1-ol?
4-amino-4-(3-bromophenyl)pentan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3-bromophenyl)pentan-1-ol is sourced from PubChem (CID 116861781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).