N-(1-benzothiophen-3-ylmethyl)propan-2-amine

C12H15NS — CID 14994410

IUPACN-(1-benzothiophen-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-9(2)13-7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyLPSHFATYSWGKGB-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.40
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)propan-2-amine

N-(1-benzothiophen-3-ylmethyl)propan-2-amine (PubChem CID 14994410) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)propan-2-amine
PubChem CID14994410
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-(1-benzothiophen-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-9(2)13-7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyLPSHFATYSWGKGB-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944902
N-(1-benzothiophen-3-ylmethyl)pent-4-en-2-amine
CID 115633123
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
CID 81353422
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 78921839
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62697930
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178182

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)propan-2-amine (CID 14994410) is N-(1-benzothiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)propan-2-amine is CC(C)NCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)propan-2-amine?
The InChIKey is LPSHFATYSWGKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-9(2)13-7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)propan-2-amine?
N-(1-benzothiophen-3-ylmethyl)propan-2-amine has a molecular weight of 205.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 14994410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).