2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol

C14H23NOS — CID 65185849

IUPAC2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
SMILESCC(C)C(CN)C(O)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H23NOS/c1-9(2)11(8-15)14(16)13-7-10-5-3-4-6-12(10)17-13/h7,9,11,14,16H,3-6,8,15H2,1-2H3
InChIKeyJHMDNDFKZJPWHL-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.89
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol

2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol (PubChem CID 65185849) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
PubChem CID65185849
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
SMILESCC(C)C(CN)C(O)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H23NOS/c1-9(2)11(8-15)14(16)13-7-10-5-3-4-6-12(10)17-13/h7,9,11,14,16H,3-6,8,15H2,1-2H3
InChIKeyJHMDNDFKZJPWHL-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pentan-1-ol
CID 79412515
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587
3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185870
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 65185014
1,1,1-trifluoro-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]propan-2-ol
CID 103778647
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115840619
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-en-1-amine
CID 105003788

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol (CID 65185849) is 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol is CC(C)C(CN)C(O)c1cc2c(s1)CCCC2.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol?
The InChIKey is JHMDNDFKZJPWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9(2)11(8-15)14(16)13-7-10-5-3-4-6-12(10)17-13/h7,9,11,14,16H,3-6,8,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol?
2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol is sourced from PubChem (CID 65185849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).