3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine

C18H20N2S — CID 65241599

IUPAC3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
SMILESCc1cc(CNCc2cc3ccccc3cc2N)sc1C
InChIInChI=1S/C18H20N2S/c1-12-7-17(21-13(12)2)11-20-10-16-8-14-5-3-4-6-15(14)9-18(16)19/h3-9,20H,10-11,19H2,1-2H3
InChIKeyAAROLBYJNPTQSF-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.39
Rot. Bonds4

About 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine

3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine (PubChem CID 65241599) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
PubChem CID65241599
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
SMILESCc1cc(CNCc2cc3ccccc3cc2N)sc1C
InChIInChI=1S/C18H20N2S/c1-12-7-17(21-13(12)2)11-20-10-16-8-14-5-3-4-6-15(14)9-18(16)19/h3-9,20H,10-11,19H2,1-2H3
InChIKeyAAROLBYJNPTQSF-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine 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

3-[[(5-ethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine
CID 106012192
2-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]-5-methoxyaniline
CID 115414202
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 65246409
2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 65246171
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 65246641
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 115654593
3-[(cyclopropylmethylamino)methyl]naphthalen-2-amine
CID 61213693
1-(4,5-dimethylthiophen-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 65244077
1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415887

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine (CID 65241599) is 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine is Cc1cc(CNCc2cc3ccccc3cc2N)sc1C.
What is the InChIKey of 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
The InChIKey is AAROLBYJNPTQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-12-7-17(21-13(12)2)11-20-10-16-8-14-5-3-4-6-15(14)9-18(16)19/h3-9,20H,10-11,19H2,1-2H3.
What are the key properties of 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine?
3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]naphthalen-2-amine is sourced from PubChem (CID 65241599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).