1-amino-1-(3-bromophenyl)propan-1-ol

C9H12BrNO — CID 141222959

IUPAC1-amino-1-(3-bromophenyl)propan-1-ol
SMILESCCC(N)(O)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-2-9(11,12)7-4-3-5-8(10)6-7/h3-6,12H,2,11H2,1H3
InChIKeyVLGMKJDHILVZLE-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.96
Rot. Bonds2

About 1-amino-1-(3-bromophenyl)propan-1-ol

1-amino-1-(3-bromophenyl)propan-1-ol (PubChem CID 141222959) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-amino-1-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name1-amino-1-(3-bromophenyl)propan-1-ol
PubChem CID141222959
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-amino-1-(3-bromophenyl)propan-1-ol
SMILESCCC(N)(O)c1cccc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-2-9(11,12)7-4-3-5-8(10)6-7/h3-6,12H,2,11H2,1H3
InChIKeyVLGMKJDHILVZLE-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(3S)-3-(3-bromophenyl)pentadecan-3-ol
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2-(3-bromophenyl)-6-methylheptan-2-amine
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3-(3-bromophenyl)-2-ethyl-3-hydroxy-2-methylbutanenitrile
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2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol
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2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-bromophenyl)propan-1-ol?
The IUPAC name of 1-amino-1-(3-bromophenyl)propan-1-ol (CID 141222959) is 1-amino-1-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 1-amino-1-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 1-amino-1-(3-bromophenyl)propan-1-ol is CCC(N)(O)c1cccc(Br)c1.
What is the InChIKey of 1-amino-1-(3-bromophenyl)propan-1-ol?
The InChIKey is VLGMKJDHILVZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-2-9(11,12)7-4-3-5-8(10)6-7/h3-6,12H,2,11H2,1H3.
What are the key properties of 1-amino-1-(3-bromophenyl)propan-1-ol?
1-amino-1-(3-bromophenyl)propan-1-ol has a molecular weight of 230.10 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 141222959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).