2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline

C13H16N2S — CID 61150338

IUPAC2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
SMILESCc1ccc(CNCc2cccs2)cc1N
InChIInChI=1S/C13H16N2S/c1-10-4-5-11(7-13(10)14)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9,14H2,1H3
InChIKeyNCBYTFSLDQVNFT-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.93
Rot. Bonds4

About 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline

2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline (PubChem CID 61150338) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
PubChem CID61150338
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
SMILESCc1ccc(CNCc2cccs2)cc1N
InChIInChI=1S/C13H16N2S/c1-10-4-5-11(7-13(10)14)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9,14H2,1H3
InChIKeyNCBYTFSLDQVNFT-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
4-[2-(thiophen-2-ylmethylamino)ethyl]aniline
CID 61150605
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline?
The IUPAC name of 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline (CID 61150338) is 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline.
What is the SMILES notation for 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline?
The canonical SMILES for 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline is Cc1ccc(CNCc2cccs2)cc1N.
What is the InChIKey of 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline?
The InChIKey is NCBYTFSLDQVNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-4-5-11(7-13(10)14)8-15-9-12-3-2-6-16-12/h2-7,15H,8-9,14H2,1H3.
What are the key properties of 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline?
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline has a molecular weight of 232.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline is sourced from PubChem (CID 61150338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).