4-(1-amino-3-methylbutyl)-2-bromophenol

C11H16BrNO — CID 130825484

IUPAC4-(1-amino-3-methylbutyl)-2-bromophenol
SMILESCC(C)CC(N)c1ccc(O)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-7(2)5-10(13)8-3-4-11(14)9(12)6-8/h3-4,6-7,10,14H,5,13H2,1-2H3
InChIKeySYGYRURENLRCRH-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.20
Rot. Bonds3

About 4-(1-amino-3-methylbutyl)-2-bromophenol

4-(1-amino-3-methylbutyl)-2-bromophenol (PubChem CID 130825484) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-(1-amino-3-methylbutyl)-2-bromophenol.

Molecular Properties

Compound Name4-(1-amino-3-methylbutyl)-2-bromophenol
PubChem CID130825484
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-(1-amino-3-methylbutyl)-2-bromophenol
SMILESCC(C)CC(N)c1ccc(O)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-7(2)5-10(13)8-3-4-11(14)9(12)6-8/h3-4,6-7,10,14H,5,13H2,1-2H3
InChIKeySYGYRURENLRCRH-UHFFFAOYSA-N
XLogP3.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
CID 131413389
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride
CID 171204287
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
4-[(1R)-1-amino-3-methylbutyl]phenol
CID 130812675
5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
CID 171199295
4-[(1R)-1-aminopent-4-enyl]-2-bromophenol
CID 171204295
1-(3-bromo-4-propoxyphenyl)-3-methylbutan-1-amine
CID 113438084

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-methylbutyl)-2-bromophenol?
The IUPAC name of 4-(1-amino-3-methylbutyl)-2-bromophenol (CID 130825484) is 4-(1-amino-3-methylbutyl)-2-bromophenol.
What is the SMILES notation for 4-(1-amino-3-methylbutyl)-2-bromophenol?
The canonical SMILES for 4-(1-amino-3-methylbutyl)-2-bromophenol is CC(C)CC(N)c1ccc(O)c(Br)c1.
What is the InChIKey of 4-(1-amino-3-methylbutyl)-2-bromophenol?
The InChIKey is SYGYRURENLRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7(2)5-10(13)8-3-4-11(14)9(12)6-8/h3-4,6-7,10,14H,5,13H2,1-2H3.
What are the key properties of 4-(1-amino-3-methylbutyl)-2-bromophenol?
4-(1-amino-3-methylbutyl)-2-bromophenol has a molecular weight of 258.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-methylbutyl)-2-bromophenol is sourced from PubChem (CID 130825484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).