1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine

C15H23NS — CID 114285063

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)C(N)C1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-10(2)8-11(3)15(16)14-9-12-6-4-5-7-13(12)17-14/h4-7,10-11,14-15H,8-9,16H2,1-3H3
InChIKeyRMMYKAVTEMSQEG-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine (PubChem CID 114285063) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
PubChem CID114285063
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)C(N)C1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-10(2)8-11(3)15(16)14-9-12-6-4-5-7-13(12)17-14/h4-7,10-11,14-15H,8-9,16H2,1-3H3
InChIKeyRMMYKAVTEMSQEG-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
[1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105298148
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methoxybutan-1-amine
CID 105190083
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpent-3-yn-1-amine
CID 105112708
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-5-yn-1-amine
CID 105179456

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine (CID 114285063) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine is CC(C)CC(C)C(N)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine?
The InChIKey is RMMYKAVTEMSQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-10(2)8-11(3)15(16)14-9-12-6-4-5-7-13(12)17-14/h4-7,10-11,14-15H,8-9,16H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-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 1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 114285063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).