3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol

C17H20BrNO — CID 65187606

IUPAC3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
SMILESCc1cccc(C(O)C(CN)c2cccc(Br)c2)c1C
InChIInChI=1S/C17H20BrNO/c1-11-5-3-8-15(12(11)2)17(20)16(10-19)13-6-4-7-14(18)9-13/h3-9,16-17,20H,10,19H2,1-2H3
InChIKeyBLKGTPQVPOCVCE-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.84
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol (PubChem CID 65187606) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
PubChem CID65187606
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
SMILESCc1cccc(C(O)C(CN)c2cccc(Br)c2)c1C
InChIInChI=1S/C17H20BrNO/c1-11-5-3-8-15(12(11)2)17(20)16(10-19)13-6-4-7-14(18)9-13/h3-9,16-17,20H,10,19H2,1-2H3
InChIKeyBLKGTPQVPOCVCE-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-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-1-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 107100522
3-amino-1-(2,5-dibromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 114376075
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133
3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
CID 103406638

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol (CID 65187606) is 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol is Cc1cccc(C(O)C(CN)c2cccc(Br)c2)c1C.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol?
The InChIKey is BLKGTPQVPOCVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-5-3-8-15(12(11)2)17(20)16(10-19)13-6-4-7-14(18)9-13/h3-9,16-17,20H,10,19H2,1-2H3.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)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-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 65187606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).