2-(3-aminobutyl)-5-bromophenol

C10H14BrNO — CID 130001244

IUPAC2-(3-aminobutyl)-5-bromophenol
SMILESCC(N)CCc1ccc(Br)cc1O
InChIInChI=1S/C10H14BrNO/c1-7(12)2-3-8-4-5-9(11)6-10(8)13/h4-7,13H,2-3,12H2,1H3
InChIKeyINOYOWHFMXEQCC-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.43
Rot. Bonds3

About 2-(3-aminobutyl)-5-bromophenol

2-(3-aminobutyl)-5-bromophenol (PubChem CID 130001244) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(3-aminobutyl)-5-bromophenol.

Molecular Properties

Compound Name2-(3-aminobutyl)-5-bromophenol
PubChem CID130001244
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(3-aminobutyl)-5-bromophenol
SMILESCC(N)CCc1ccc(Br)cc1O
InChIInChI=1S/C10H14BrNO/c1-7(12)2-3-8-4-5-9(11)6-10(8)13/h4-7,13H,2-3,12H2,1H3
InChIKeyINOYOWHFMXEQCC-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
2-(3-aminobutyl)-4,5-difluorophenol
CID 141202950
4-amino-2-(3-aminobutyl)phenol
CID 84657538
4-bromo-2-(3-hydroxybutyl)phenol
CID 134275003
4-[(4-bromo-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66233280
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
4-[(5-bromo-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 66234398
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride
CID 171204721

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-5-bromophenol?
The IUPAC name of 2-(3-aminobutyl)-5-bromophenol (CID 130001244) is 2-(3-aminobutyl)-5-bromophenol.
What is the SMILES notation for 2-(3-aminobutyl)-5-bromophenol?
The canonical SMILES for 2-(3-aminobutyl)-5-bromophenol is CC(N)CCc1ccc(Br)cc1O.
What is the InChIKey of 2-(3-aminobutyl)-5-bromophenol?
The InChIKey is INOYOWHFMXEQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(12)2-3-8-4-5-9(11)6-10(8)13/h4-7,13H,2-3,12H2,1H3.
What are the key properties of 2-(3-aminobutyl)-5-bromophenol?
2-(3-aminobutyl)-5-bromophenol has a molecular weight of 244.13 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-5-bromophenol is sourced from PubChem (CID 130001244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).