2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol

C9H15NOS — CID 63774699

IUPAC2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
SMILESNCC(CO)CCc1cccs1
InChIInChI=1S/C9H15NOS/c10-6-8(7-11)3-4-9-2-1-5-12-9/h1-2,5,8,11H,3-4,6-7,10H2
InChIKeyPVSCSNWNRVOPJU-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.25
Rot. Bonds5

About 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol

2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol (PubChem CID 63774699) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
PubChem CID63774699
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
SMILESNCC(CO)CCc1cccs1
InChIInChI=1S/C9H15NOS/c10-6-8(7-11)3-4-9-2-1-5-12-9/h1-2,5,8,11H,3-4,6-7,10H2
InChIKeyPVSCSNWNRVOPJU-UHFFFAOYSA-N
XLogP1.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774826
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774451
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
2-[3-(bromomethyl)pentyl]thiophene
CID 66043053
2-(sulfanylmethyl)-3-thiophen-2-ylpropan-1-ol
CID 117246313
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
3-thiophen-2-ylpropan-1-ol
CID 13109866
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
CID 79488348

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol (CID 63774699) is 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol is NCC(CO)CCc1cccs1.
What is the InChIKey of 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol?
The InChIKey is PVSCSNWNRVOPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c10-6-8(7-11)3-4-9-2-1-5-12-9/h1-2,5,8,11H,3-4,6-7,10H2.
What are the key properties of 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol?
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 63774699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).