N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine

C15H19NS — CID 114748967

IUPACN-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)csc1-c1ccccc1
InChIInChI=1S/C15H19NS/c1-11(2)16-9-14-10-17-15(12(14)3)13-7-5-4-6-8-13/h4-8,10-11,16H,9H2,1-3H3
InChIKeyBRIRTYGQSADHBJ-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.22
Rot. Bonds4

About N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine

N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine (PubChem CID 114748967) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
PubChem CID114748967
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
SMILESCc1c(CNC(C)C)csc1-c1ccccc1
InChIInChI=1S/C15H19NS/c1-11(2)16-9-14-10-17-15(12(14)3)13-7-5-4-6-8-13/h4-8,10-11,16H,9H2,1-3H3
InChIKeyBRIRTYGQSADHBJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine
CID 114749039
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 82452414
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117184526
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 154194483
N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 64714989
N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 64715821
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 64715193
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 79145650
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine
CID 114748970

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine (CID 114748967) is N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine is Cc1c(CNC(C)C)csc1-c1ccccc1.
What is the InChIKey of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine?
The InChIKey is BRIRTYGQSADHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-11(2)16-9-14-10-17-15(12(14)3)13-7-5-4-6-8-13/h4-8,10-11,16H,9H2,1-3H3.
What are the key properties of N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine?
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 114748967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).