N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine

C13H15NS — CID 4721388

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNCc2ccccc2)s1
InChIInChI=1S/C13H15NS/c1-11-7-8-13(15-11)10-14-9-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3
InChIKeyIDHYNTVRWLKKAB-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.35
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine

N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine (PubChem CID 4721388) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine
PubChem CID4721388
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNCc2ccccc2)s1
InChIInChI=1S/C13H15NS/c1-11-7-8-13(15-11)10-14-9-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3
InChIKeyIDHYNTVRWLKKAB-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine (CID 4721388) is N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine is Cc1ccc(CNCc2ccccc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is IDHYNTVRWLKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-11-7-8-13(15-11)10-14-9-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 4721388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).