1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine

C15H19NS — CID 63001646

IUPAC1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccsc2)cc1C
InChIInChI=1S/C15H19NS/c1-11-6-13(3)15(7-12(11)2)9-16-8-14-4-5-17-10-14/h4-7,10,16H,8-9H2,1-3H3
InChIKeyOAOPTFKXHGOTRN-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.96
Rot. Bonds4

About 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine

1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine (PubChem CID 63001646) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
PubChem CID63001646
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2ccsc2)cc1C
InChIInChI=1S/C15H19NS/c1-11-6-13(3)15(7-12(11)2)9-16-8-14-4-5-17-10-14/h4-7,10,16H,8-9H2,1-3H3
InChIKeyOAOPTFKXHGOTRN-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60956605
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 79605490
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
N-[(5-fluoro-2-nitrophenyl)methyl]-1-thiophen-3-ylmethanamine
CID 63248080

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine (CID 63001646) is 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCc2ccsc2)cc1C.
What is the InChIKey of 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
The InChIKey is OAOPTFKXHGOTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-6-13(3)15(7-12(11)2)9-16-8-14-4-5-17-10-14/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine?
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine has a molecular weight of 245.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 63001646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).