1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol

C11H16BrNO — CID 83936347

IUPAC1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
SMILESCc1cc(CCC(O)CN)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-8-6-9(3-5-11(8)12)2-4-10(14)7-13/h3,5-6,10,14H,2,4,7,13H2,1H3
InChIKeyAQUZWBWQEXMILI-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.01
Rot. Bonds4

About 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol

1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol (PubChem CID 83936347) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
PubChem CID83936347
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
SMILESCc1cc(CCC(O)CN)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-8-6-9(3-5-11(8)12)2-4-10(14)7-13/h3,5-6,10,14H,2,4,7,13H2,1H3
InChIKeyAQUZWBWQEXMILI-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-amino-4-(4-propylphenyl)butan-2-ol
CID 83921571
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
1-amino-4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-2-ol
CID 167898746
1-bromo-4-(2-bromoethyl)-2-methylbenzene
CID 66480318
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
6-(4-bromo-3-methylphenyl)hexan-3-amine
CID 83936315
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
4-(3,4-dimethylphenyl)butane-1,2-diol
CID 83927957
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
4-(3-bromo-4-methylphenyl)butan-2-ol
CID 131143359

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol (CID 83936347) is 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol is Cc1cc(CCC(O)CN)ccc1Br.
What is the InChIKey of 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol?
The InChIKey is AQUZWBWQEXMILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-6-9(3-5-11(8)12)2-4-10(14)7-13/h3,5-6,10,14H,2,4,7,13H2,1H3.
What are the key properties of 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol?
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 83936347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).