1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

C17H21NS — CID 55129402

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(C)sc1C)C1(c2ccccc2)CC1
InChIInChI=1S/C17H21NS/c1-12-11-15(13(2)19-12)16(18-3)17(9-10-17)14-7-5-4-6-8-14/h4-8,11,16,18H,9-10H2,1-3H3
InChIKeyMOUCPNLTOAZQSX-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.36
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine

1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (PubChem CID 55129402) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
PubChem CID55129402
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(C)sc1C)C1(c2ccccc2)CC1
InChIInChI=1S/C17H21NS/c1-12-11-15(13(2)19-12)16(18-3)17(9-10-17)14-7-5-4-6-8-14/h4-8,11,16,18H,9-10H2,1-3H3
InChIKeyMOUCPNLTOAZQSX-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79596313
1-(2-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63078449
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine
CID 65104467
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82803625
N-methyl-1-(1-phenylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65104923
[(5-methylthiophen-3-yl)-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217208
1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine
CID 63417710
[(2-methylphenyl)-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217005
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82791632
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 62881063

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine (CID 55129402) is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is CNC(c1cc(C)sc1C)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
The InChIKey is MOUCPNLTOAZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-12-11-15(13(2)19-12)16(18-3)17(9-10-17)14-7-5-4-6-8-14/h4-8,11,16,18H,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine?
1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine has a molecular weight of 271.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 55129402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).