1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine

C14H17NOS — CID 54883860

IUPAC1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccs2)ccc1C
InChIInChI=1S/C14H17NOS/c1-11-5-6-12(8-14(11)16-2)9-15-10-13-4-3-7-17-13/h3-8,15H,9-10H2,1-2H3
InChIKeyNAUQLTPETICILV-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.35
Rot. Bonds5

About 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 54883860) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID54883860
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1cc(CNCc2cccs2)ccc1C
InChIInChI=1S/C14H17NOS/c1-11-5-6-12(8-14(11)16-2)9-15-10-13-4-3-7-17-13/h3-8,15H,9-10H2,1-2H3
InChIKeyNAUQLTPETICILV-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17293810
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
1-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54850202
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290314
1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290330
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4719377
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716133
3-[(3,4-dimethoxyphenyl)methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 50969709
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897
2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213460

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 54883860) is 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine is COc1cc(CNCc2cccs2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is NAUQLTPETICILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-5-6-12(8-14(11)16-2)9-15-10-13-4-3-7-17-13/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 54883860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).