N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine

C14H17NS — CID 60956605

IUPACN-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1ccc(CNCc2ccsc2)c(C)c1
InChIInChI=1S/C14H17NS/c1-11-3-4-14(12(2)7-11)9-15-8-13-5-6-16-10-13/h3-7,10,15H,8-9H2,1-2H3
InChIKeyHZZDSEMJTKBKDO-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.65
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine

N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 60956605) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID60956605
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1ccc(CNCc2ccsc2)c(C)c1
InChIInChI=1S/C14H17NS/c1-11-3-4-14(12(2)7-11)9-15-8-13-5-6-16-10-13/h3-7,10,15H,8-9H2,1-2H3
InChIKeyHZZDSEMJTKBKDO-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
1-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111937927
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
N-[(2,4-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875777
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]methanamine
CID 28643467
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine
CID 78921732
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine (CID 60956605) is N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine is Cc1ccc(CNCc2ccsc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is HZZDSEMJTKBKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11-3-4-14(12(2)7-11)9-15-8-13-5-6-16-10-13/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine?
N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 60956605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).