3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol

C14H15BrClNOS — CID 103406638

IUPAC3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
SMILESCc1csc(C(O)C(CN)c2cccc(Br)c2)c1Cl
InChIInChI=1S/C14H15BrClNOS/c1-8-7-19-14(12(8)16)13(18)11(6-17)9-3-2-4-10(15)5-9/h2-5,7,11,13,18H,6,17H2,1H3
InChIKeyIWUSSOGUQGAMFP-UHFFFAOYSA-N
MW360.70 g/mol
LogP4.25
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol (PubChem CID 103406638) has the molecular formula C14H15BrClNOS and a molecular weight of 360.70 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
PubChem CID103406638
Molecular FormulaC14H15BrClNOS
Molecular Weight360.70 g/mol
Exact Mass358.97
IUPAC Name3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
SMILESCc1csc(C(O)C(CN)c2cccc(Br)c2)c1Cl
InChIInChI=1S/C14H15BrClNOS/c1-8-7-19-14(12(8)16)13(18)11(6-17)9-3-2-4-10(15)5-9/h2-5,7,11,13,18H,6,17H2,1H3
InChIKeyIWUSSOGUQGAMFP-UHFFFAOYSA-N
XLogP4.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.70
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chloro-4-methylthiophen-2-yl)-2-(3-chlorophenyl)propan-1-ol
CID 103406591
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)propan-1-ol
CID 65187605
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
CID 103404648
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol (CID 103406638) is 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol is Cc1csc(C(O)C(CN)c2cccc(Br)c2)c1Cl.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol?
The InChIKey is IWUSSOGUQGAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNOS/c1-8-7-19-14(12(8)16)13(18)11(6-17)9-3-2-4-10(15)5-9/h2-5,7,11,13,18H,6,17H2,1H3.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol has a molecular weight of 360.70 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 103406638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).