2-methyl-3-(thiophen-2-ylmethyl)aniline

C12H13NS — CID 39240617

IUPAC2-methyl-3-(thiophen-2-ylmethyl)aniline
SMILESCc1c(N)cccc1Cc1cccs1
InChIInChI=1S/C12H13NS/c1-9-10(4-2-6-12(9)13)8-11-5-3-7-14-11/h2-7H,8,13H2,1H3
InChIKeyLZPNTXPWIXSAHD-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.23
Rot. Bonds2

About 2-methyl-3-(thiophen-2-ylmethyl)aniline

2-methyl-3-(thiophen-2-ylmethyl)aniline (PubChem CID 39240617) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-3-(thiophen-2-ylmethyl)aniline
PubChem CID39240617
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-methyl-3-(thiophen-2-ylmethyl)aniline
SMILESCc1c(N)cccc1Cc1cccs1
InChIInChI=1S/C12H13NS/c1-9-10(4-2-6-12(9)13)8-11-5-3-7-14-11/h2-7H,8,13H2,1H3
InChIKeyLZPNTXPWIXSAHD-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dimethylphenyl)methyl]thiophene
CID 54195522
2-[(3-chloro-2-methylphenyl)methyl]thiophene
CID 174830599
2-methyl-3-(thiophen-2-ylmethylsulfonyl)aniline
CID 81190653
2-methyl-3,4-dihydro-2H-pyrrole;2-(thiophen-2-ylmethyl)aniline;hydrochloride
CID 70531771
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
3-ethyl-2-methylaniline
CID 19879636
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
2-(3-amino-2-methylphenyl)acetaldehyde
CID 174431818
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527306
sodium 2-(thiophen-2-ylmethyl)phenolate
CID 101328659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-methyl-3-(thiophen-2-ylmethyl)aniline (CID 39240617) is 2-methyl-3-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-3-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-methyl-3-(thiophen-2-ylmethyl)aniline is Cc1c(N)cccc1Cc1cccs1.
What is the InChIKey of 2-methyl-3-(thiophen-2-ylmethyl)aniline?
The InChIKey is LZPNTXPWIXSAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-10(4-2-6-12(9)13)8-11-5-3-7-14-11/h2-7H,8,13H2,1H3.
What are the key properties of 2-methyl-3-(thiophen-2-ylmethyl)aniline?
2-methyl-3-(thiophen-2-ylmethyl)aniline has a molecular weight of 203.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 39240617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).