N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine

C13H15NS — CID 66349713

IUPACN-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
SMILESCc1ccc(CNc2ccsc2)cc1C
InChIInChI=1S/C13H15NS/c1-10-3-4-12(7-11(10)2)8-14-13-5-6-15-9-13/h3-7,9,14H,8H2,1-2H3
InChIKeyNJQCSIWEDWYFHL-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.98
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine

N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine (PubChem CID 66349713) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
PubChem CID66349713
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC NameN-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
SMILESCc1ccc(CNc2ccsc2)cc1C
InChIInChI=1S/C13H15NS/c1-10-3-4-12(7-11(10)2)8-14-13-5-6-15-9-13/h3-7,9,14H,8H2,1-2H3
InChIKeyNJQCSIWEDWYFHL-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352513
N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
CID 66353002
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352992
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine (CID 66349713) is N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine is Cc1ccc(CNc2ccsc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine?
The InChIKey is NJQCSIWEDWYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-10-3-4-12(7-11(10)2)8-14-13-5-6-15-9-13/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine?
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine has a molecular weight of 217.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66349713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).