2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine

C14H19NS — CID 63738676

IUPAC2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-14(2,10-15)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9H,3,8,10,15H2,1-2H3
InChIKeyGLVXMEPLHJRSMO-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.82
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine

2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine (PubChem CID 63738676) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
PubChem CID63738676
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-14(2,10-15)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9H,3,8,10,15H2,1-2H3
InChIKeyGLVXMEPLHJRSMO-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
1-(1-benzothiophen-3-yl)-2-phenylbutan-2-ol
CID 65146896
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 91011346
1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062515
3-N-(1-benzothiophen-3-ylmethyl)-3-methylbutane-1,3-diamine
CID 115134773
ethyl 2-(1-benzothiophen-3-ylmethyl)-2-methylbut-3-enoate
CID 102639305
1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136311
2-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylbut-3-en-1-amine
CID 102640890
2-(1-benzothiophen-3-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79449938

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine (CID 63738676) is 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine is CCC(C)(CN)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
The InChIKey is GLVXMEPLHJRSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-14(2,10-15)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9H,3,8,10,15H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 63738676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).