1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine

C18H17NS — CID 834049

IUPAC1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C18H17NS/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)19-14-17-12-7-13-20-17/h1-13,18-19H,14H2
InChIKeyKXGUJBOADZGXCF-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.63
Rot. Bonds5

About 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine

1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 834049) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID834049
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C18H17NS/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)19-14-17-12-7-13-20-17/h1-13,18-19H,14H2
InChIKeyKXGUJBOADZGXCF-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine (CID 834049) is 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine is c1ccc(C(NCc2cccs2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is KXGUJBOADZGXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)19-14-17-12-7-13-20-17/h1-13,18-19H,14H2.
What are the key properties of 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine?
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 279.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 834049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).