4-amino-2-(3-bromophenyl)butan-1-ol

C10H14BrNO — CID 115045172

IUPAC4-amino-2-(3-bromophenyl)butan-1-ol
SMILESNCCC(CO)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c11-10-3-1-2-8(6-10)9(7-13)4-5-12/h1-3,6,9,13H,4-5,7,12H2
InChIKeyNEVJUUOOJSZITM-UHFFFAOYSA-N
MW244.13 g/mol
LogP1.87
Rot. Bonds4

About 4-amino-2-(3-bromophenyl)butan-1-ol

4-amino-2-(3-bromophenyl)butan-1-ol (PubChem CID 115045172) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-amino-2-(3-bromophenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-2-(3-bromophenyl)butan-1-ol
PubChem CID115045172
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-amino-2-(3-bromophenyl)butan-1-ol
SMILESNCCC(CO)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO/c11-10-3-1-2-8(6-10)9(7-13)4-5-12/h1-3,6,9,13H,4-5,7,12H2
InChIKeyNEVJUUOOJSZITM-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
2-(3-bromophenyl)-4-methylsulfonylbutan-1-ol
CID 79442931
2-(3-bromophenyl)-4-ethylsulfonylbutan-1-ol
CID 79442851
4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276
2-(3-bromophenyl)-4-(trifluoromethylsulfanyl)butan-1-ol
CID 116627906
2-(3-bromophenyl)-3-cyclopentylpropan-1-ol
CID 79443530
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
2-amino-3-(3-bromophenyl)butan-1-ol
CID 83912819
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-bromophenyl)butan-1-ol?
The IUPAC name of 4-amino-2-(3-bromophenyl)butan-1-ol (CID 115045172) is 4-amino-2-(3-bromophenyl)butan-1-ol.
What is the SMILES notation for 4-amino-2-(3-bromophenyl)butan-1-ol?
The canonical SMILES for 4-amino-2-(3-bromophenyl)butan-1-ol is NCCC(CO)c1cccc(Br)c1.
What is the InChIKey of 4-amino-2-(3-bromophenyl)butan-1-ol?
The InChIKey is NEVJUUOOJSZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-10-3-1-2-8(6-10)9(7-13)4-5-12/h1-3,6,9,13H,4-5,7,12H2.
What are the key properties of 4-amino-2-(3-bromophenyl)butan-1-ol?
4-amino-2-(3-bromophenyl)butan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-bromophenyl)butan-1-ol is sourced from PubChem (CID 115045172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).