3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol

C10H14BrNO — CID 81116743

IUPAC3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
SMILESCc1ccc(Br)c(C(O)CCN)c1
InChIInChI=1S/C10H14BrNO/c1-7-2-3-9(11)8(6-7)10(13)4-5-12/h2-3,6,10,13H,4-5,12H2,1H3
InChIKeySGXMMWGXKIKOQI-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol

3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol (PubChem CID 81116743) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
PubChem CID81116743
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
SMILESCc1ccc(Br)c(C(O)CCN)c1
InChIInChI=1S/C10H14BrNO/c1-7-2-3-9(11)8(6-7)10(13)4-5-12/h2-3,6,10,13H,4-5,12H2,1H3
InChIKeySGXMMWGXKIKOQI-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834630
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
CID 96744848
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 81117922
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
1-(2-bromo-5-methylphenyl)butan-1-amine
CID 83988260
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
1-(2-bromo-5-methylphenyl)-3-chloropropane-1,2-diol
CID 171863103
[1-(2-bromo-5-methylphenyl)-4-methylpentyl]hydrazine
CID 105294292

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol (CID 81116743) is 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol is Cc1ccc(Br)c(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol?
The InChIKey is SGXMMWGXKIKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-2-3-9(11)8(6-7)10(13)4-5-12/h2-3,6,10,13H,4-5,12H2,1H3.
What are the key properties of 3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol?
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 2.14, 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-bromo-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 81116743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).