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

C17H20BrNO — CID 107984152

IUPAC3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CN)C(O)c1cccc(C)c1Br
InChIInChI=1S/C17H20BrNO/c1-11-6-3-4-8-13(11)15(10-19)17(20)14-9-5-7-12(2)16(14)18/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyQWHDWJOMKYAUOK-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.84
Rot. Bonds4

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

3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 107984152) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
PubChem CID107984152
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CN)C(O)c1cccc(C)c1Br
InChIInChI=1S/C17H20BrNO/c1-11-6-3-4-8-13(11)15(10-19)17(20)14-9-5-7-12(2)16(14)18/h3-9,15,17,20H,10,19H2,1-2H3
InChIKeyQWHDWJOMKYAUOK-UHFFFAOYSA-N
XLogP3.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bromo-3-methylphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 107984150
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
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3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 65184471
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
3-amino-1-(5-bromo-2-methylphenyl)-2-(2-bromophenyl)propan-1-ol
CID 65309758
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
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3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
CID 79206483
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol (CID 107984152) is 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(CN)C(O)c1cccc(C)c1Br.
What is the InChIKey of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is QWHDWJOMKYAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-6-3-4-8-13(11)15(10-19)17(20)14-9-5-7-12(2)16(14)18/h3-9,15,17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol?
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 334.26 g/mol, XLogP of 3.84, 4 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-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 107984152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).