N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine

C19H23NS — CID 105090537

IUPACN-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)C1Cc2ccccc2S1
InChIInChI=1S/C19H23NS/c1-3-11-20-19(16-9-6-7-14(2)12-16)18-13-15-8-4-5-10-17(15)21-18/h4-10,12,18-20H,3,11,13H2,1-2H3
InChIKeyBCYPHBITYKYWGC-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.75
Rot. Bonds5

About N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine (PubChem CID 105090537) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine
PubChem CID105090537
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C)c1)C1Cc2ccccc2S1
InChIInChI=1S/C19H23NS/c1-3-11-20-19(16-9-6-7-14(2)12-16)18-13-15-8-4-5-10-17(15)21-18/h4-10,12,18-20H,3,11,13H2,1-2H3
InChIKeyBCYPHBITYKYWGC-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 105092704
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
N-[2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105140323
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840468
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105170008
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097285
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 103346374
N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105179214
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173320
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine (CID 105090537) is N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(C)c1)C1Cc2ccccc2S1.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is BCYPHBITYKYWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-3-11-20-19(16-9-6-7-14(2)12-16)18-13-15-8-4-5-10-17(15)21-18/h4-10,12,18-20H,3,11,13H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105090537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).