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

C15H19NOS — CID 65187789

IUPAC3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2sccc2C)cc1
InChIInChI=1S/C15H19NOS/c1-10-3-5-12(6-4-10)13(9-16)14(17)15-11(2)7-8-18-15/h3-8,13-14,17H,9,16H2,1-2H3
InChIKeyFRYSKCJNHIDNNK-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.14
Rot. Bonds4

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

3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 65187789) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID65187789
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C(CN)C(O)c2sccc2C)cc1
InChIInChI=1S/C15H19NOS/c1-10-3-5-12(6-4-10)13(9-16)14(17)15-11(2)7-8-18-15/h3-8,13-14,17H,9,16H2,1-2H3
InChIKeyFRYSKCJNHIDNNK-UHFFFAOYSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187627
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498
3-amino-2-(2,4-dichlorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65185608
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-1-(3-chlorothiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 80642172
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
3-amino-1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 80641548
1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
CID 65187944
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (CID 65187789) is 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccc(C(CN)C(O)c2sccc2C)cc1.
What is the InChIKey of 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is FRYSKCJNHIDNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-3-5-12(6-4-10)13(9-16)14(17)15-11(2)7-8-18-15/h3-8,13-14,17H,9,16H2,1-2H3.
What are the key properties of 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65187789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).