1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol

C10H18N2OS — CID 115121696

IUPAC1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccsc1CCNCC(O)CN
InChIInChI=1S/C10H18N2OS/c1-8-3-5-14-10(8)2-4-12-7-9(13)6-11/h3,5,9,12-13H,2,4,6-7,11H2,1H3
InChIKeyWDOGKQXBVZIIMR-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.51
Rot. Bonds6

About 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol

1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol (PubChem CID 115121696) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
PubChem CID115121696
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccsc1CCNCC(O)CN
InChIInChI=1S/C10H18N2OS/c1-8-3-5-14-10(8)2-4-12-7-9(13)6-11/h3,5,9,12-13H,2,4,6-7,11H2,1H3
InChIKeyWDOGKQXBVZIIMR-UHFFFAOYSA-N
XLogP0.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
1-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]propan-2-ol
CID 115121662
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255779
1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
CID 115121687
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
3-amino-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181342

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol (CID 115121696) is 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol is Cc1ccsc1CCNCC(O)CN.
What is the InChIKey of 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
The InChIKey is WDOGKQXBVZIIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-3-5-14-10(8)2-4-12-7-9(13)6-11/h3,5,9,12-13H,2,4,6-7,11H2,1H3.
What are the key properties of 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol?
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115121696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).