4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine

C19H21NS — CID 81028431

IUPAC4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C19H21NS/c1-20-13-16(15-7-3-2-4-8-15)11-12-17-14-21-19-10-6-5-9-18(17)19/h2-10,14,16,20H,11-13H2,1H3
InChIKeyYLMADEAGDUDYMI-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.84
Rot. Bonds6

About 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine

4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 81028431) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
PubChem CID81028431
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCNCC(CCc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C19H21NS/c1-20-13-16(15-7-3-2-4-8-15)11-12-17-14-21-19-10-6-5-9-18(17)19/h2-10,14,16,20H,11-13H2,1H3
InChIKeyYLMADEAGDUDYMI-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
CID 65429469
3-(3-chloro-2-phenylpropyl)-1-benzothiophene
CID 66033225
4-(2,3-dichlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 107311080
5-(1-benzothiophen-3-yl)-3-methylpentan-1-amine
CID 65300535
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
3-N-[2-(1-benzothiophen-3-yl)ethyl]propane-1,2,3-triamine
CID 115120046

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine (CID 81028431) is 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine is CNCC(CCc1csc2ccccc12)c1ccccc1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is YLMADEAGDUDYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-20-13-16(15-7-3-2-4-8-15)11-12-17-14-21-19-10-6-5-9-18(17)19/h2-10,14,16,20H,11-13H2,1H3.
What are the key properties of 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine?
4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81028431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).