3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine

C15H23NS — CID 79228415

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
SMILESCC(C)C(CC1Cc2ccccc2S1)C(C)N
InChIInChI=1S/C15H23NS/c1-10(2)14(11(3)16)9-13-8-12-6-4-5-7-15(12)17-13/h4-7,10-11,13-14H,8-9,16H2,1-3H3
InChIKeyCLXKJASRCBFMAN-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.71
Rot. Bonds4

About 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine (PubChem CID 79228415) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
PubChem CID79228415
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
SMILESCC(C)C(CC1Cc2ccccc2S1)C(C)N
InChIInChI=1S/C15H23NS/c1-10(2)14(11(3)16)9-13-8-12-6-4-5-7-15(12)17-13/h4-7,10-11,13-14H,8-9,16H2,1-3H3
InChIKeyCLXKJASRCBFMAN-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 79228809
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
2-(4-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79224341
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-2-amine
CID 79228408
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
CID 81016217
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(3-methylbutan-2-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 107754265
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine
CID 79229094
(1S)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanamine
CID 79212649

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine (CID 79228415) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine is CC(C)C(CC1Cc2ccccc2S1)C(C)N.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine?
The InChIKey is CLXKJASRCBFMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-10(2)14(11(3)16)9-13-8-12-6-4-5-7-15(12)17-13/h4-7,10-11,13-14H,8-9,16H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 79228415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).