N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine

C16H15NS — CID 131228188

IUPACN-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CNCc2cccc3ccsc23)cc1
InChIInChI=1S/C16H15NS/c1-2-5-13(6-3-1)11-17-12-15-8-4-7-14-9-10-18-16(14)15/h1-10,17H,11-12H2
InChIKeyRFMCPIVYEWZLPD-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.19
Rot. Bonds4

About N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine

N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine (PubChem CID 131228188) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine
PubChem CID131228188
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC NameN-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine
SMILESc1ccc(CNCc2cccc3ccsc23)cc1
InChIInChI=1S/C16H15NS/c1-2-5-13(6-3-1)11-17-12-15-8-4-7-14-9-10-18-16(14)15/h1-10,17H,11-12H2
InChIKeyRFMCPIVYEWZLPD-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-ylmethylamino)-3-(4-chlorophenyl)propan-2-ol
CID 166372316
N-[[2-(1-benzothiophen-7-yl)phenyl]methyl]propan-1-amine
CID 81153617
2-[(benzylamino)methyl]phenol chloride
CID 53350489
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 10782345
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
CID 81147000
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
4-(1-benzothiophen-7-ylmethylcarbamoyl)-2,5-dimethylthiophene-3-carboxylic acid
CID 167966420
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine?
The IUPAC name of N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine (CID 131228188) is N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine is c1ccc(CNCc2cccc3ccsc23)cc1.
What is the InChIKey of N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine?
The InChIKey is RFMCPIVYEWZLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-2-5-13(6-3-1)11-17-12-15-8-4-7-14-9-10-18-16(14)15/h1-10,17H,11-12H2.
What are the key properties of N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine?
N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine has a molecular weight of 253.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 131228188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).