3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol

C12H21NOS — CID 65394038

IUPAC3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol
SMILESCCc1ccc(CC(C)(CN)C(C)O)s1
InChIInChI=1S/C12H21NOS/c1-4-10-5-6-11(15-10)7-12(3,8-13)9(2)14/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyIPGAQQLZIBVLRR-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.20
Rot. Bonds5

About 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol

3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol (PubChem CID 65394038) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol
PubChem CID65394038
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol
SMILESCCc1ccc(CC(C)(CN)C(C)O)s1
InChIInChI=1S/C12H21NOS/c1-4-10-5-6-11(15-10)7-12(3,8-13)9(2)14/h5-6,9,14H,4,7-8,13H2,1-3H3
InChIKeyIPGAQQLZIBVLRR-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-2,3-dimethylbutan-2-amine
CID 62622020
2-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450205
5-(5-ethylthiophen-2-yl)-N,4,4-trimethylpentan-2-amine
CID 64715317
2,5-diethylthiophene
CID 521294
3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
CID 65392790
2-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450812
3-(aminomethyl)-4-(4-bromophenyl)-3-methylbutan-2-ol
CID 65393001
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 106507337
2-(aminomethyl)-2-cyclopropyl-3-(5-ethylthiophen-2-yl)propanoic acid
CID 106489674
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol (CID 65394038) is 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol is CCc1ccc(CC(C)(CN)C(C)O)s1.
What is the InChIKey of 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol?
The InChIKey is IPGAQQLZIBVLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-10-5-6-11(15-10)7-12(3,8-13)9(2)14/h5-6,9,14H,4,7-8,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol?
3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 65394038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).