N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine

C19H19NS — CID 43224410

IUPACN-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H19NS/c1-15-9-11-16(12-10-15)14-20-19(18-8-5-13-21-18)17-6-3-2-4-7-17/h2-13,19-20H,14H2,1H3
InChIKeyCANZJTKJHMADFB-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.94
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine

N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine (PubChem CID 43224410) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
PubChem CID43224410
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC NameN-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESCc1ccc(CNC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H19NS/c1-15-9-11-16(12-10-15)14-20-19(18-8-5-13-21-18)17-6-3-2-4-7-17/h2-13,19-20H,14H2,1H3
InChIKeyCANZJTKJHMADFB-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924
N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43786376
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
N-[(3-methyltriazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 115682173
methyl 4-[[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]methyl]benzoate
CID 9050488

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine (CID 43224410) is N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine is Cc1ccc(CNC(c2ccccc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The InChIKey is CANZJTKJHMADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-15-9-11-16(12-10-15)14-20-19(18-8-5-13-21-18)17-6-3-2-4-7-17/h2-13,19-20H,14H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine has a molecular weight of 293.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43224410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).