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

C8H13NOS — CID 19422956

IUPAC2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
SMILESCc1csc(C(O)C(C)N)c1
InChIInChI=1S/C8H13NOS/c1-5-3-7(11-4-5)8(10)6(2)9/h3-4,6,8,10H,9H2,1-2H3
InChIKeyKWCAWXVCLVEYQS-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.44
Rot. Bonds2

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

2-amino-1-(4-methylthiophen-2-yl)propan-1-ol (PubChem CID 19422956) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
PubChem CID19422956
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
SMILESCc1csc(C(O)C(C)N)c1
InChIInChI=1S/C8H13NOS/c1-5-3-7(11-4-5)8(10)6(2)9/h3-4,6,8,10H,9H2,1-2H3
InChIKeyKWCAWXVCLVEYQS-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617
2-(4-methylthiophen-2-yl)propanamide
CID 90822856
2,4-bis(4-methylthiophen-2-yl)pentan-3-one
CID 67705817
ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
CID 156724928
1-(4-methylthiophen-2-yl)prop-2-en-1-amine
CID 55294447
(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
CID 55296384
2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanol
CID 144518338
(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
CID 130623525
S-[2,3-dihydroxy-3-(4-methylthiophen-2-yl)propyl] ethanethioate
CID 170823289
3-methyl-2-(4-methylthiophen-2-yl)butanoic acid
CID 23317022
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol
CID 21152201

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol (CID 19422956) is 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol is Cc1csc(C(O)C(C)N)c1.
What is the InChIKey of 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol?
The InChIKey is KWCAWXVCLVEYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5-3-7(11-4-5)8(10)6(2)9/h3-4,6,8,10H,9H2,1-2H3.
What are the key properties of 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol?
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 19422956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).