3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol

C10H14BrNO — CID 60733986

IUPAC3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccccc1Br
InChIInChI=1S/C10H14BrNO/c1-7(6-12)10(13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3
InChIKeyRHTSXROVQGNOCY-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol

3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol (PubChem CID 60733986) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
PubChem CID60733986
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1ccccc1Br
InChIInChI=1S/C10H14BrNO/c1-7(6-12)10(13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3
InChIKeyRHTSXROVQGNOCY-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
CID 107955003
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
1,3-diamino-1-(2-bromophenyl)propan-2-ol
CID 116942608
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
ethyl 4-(2-bromophenyl)-3,4-dihydroxybutanoate
CID 171898431
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol (CID 60733986) is 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol is CC(CN)C(O)c1ccccc1Br.
What is the InChIKey of 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol?
The InChIKey is RHTSXROVQGNOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(6-12)10(13)8-4-2-3-5-9(8)11/h2-5,7,10,13H,6,12H2,1H3.
What are the key properties of 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol?
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 60733986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).