2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine

C15H19NS — CID 43434173

IUPAC2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H19NS/c1-15(2,3)16-11-13-9-10-14(17-13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3
InChIKeyNOTCNQANDNMWSQ-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.30
Rot. Bonds3

About 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine

2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 43434173) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
PubChem CID43434173
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H19NS/c1-15(2,3)16-11-13-9-10-14(17-13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3
InChIKeyNOTCNQANDNMWSQ-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine (CID 43434173) is 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine is CC(C)(C)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is NOTCNQANDNMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-15(2,3)16-11-13-9-10-14(17-13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 43434173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).