3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine

C16H23NS — CID 43760500

IUPAC3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
SMILESCc1c(C(C)NCCC(C)C)sc2ccccc12
InChIInChI=1S/C16H23NS/c1-11(2)9-10-17-13(4)16-12(3)14-7-5-6-8-15(14)18-16/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyCDICFBZTXDKYSP-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.91
Rot. Bonds5

About 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine

3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine (PubChem CID 43760500) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
PubChem CID43760500
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
SMILESCc1c(C(C)NCCC(C)C)sc2ccccc12
InChIInChI=1S/C16H23NS/c1-11(2)9-10-17-13(4)16-12(3)14-7-5-6-8-15(14)18-16/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyCDICFBZTXDKYSP-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Btcp
CID 123692
1-Benzothiophen-2-ylmethylamine
CID 237074
Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
1-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-azepane
CID 398369
1-(1-Benzo[b]thiophen-2-yl-cyclopentyl)-azepane
CID 608630
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylmethyl-amine
CID 10424083
1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine
CID 192370
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-azepane
CID 14952700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine (CID 43760500) is 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine is Cc1c(C(C)NCCC(C)C)sc2ccccc12.
What is the InChIKey of 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine?
The InChIKey is CDICFBZTXDKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-11(2)9-10-17-13(4)16-12(3)14-7-5-6-8-15(14)18-16/h5-8,11,13,17H,9-10H2,1-4H3.
What are the key properties of 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine?
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 43760500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).