1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine

C17H21NS — CID 43287604

IUPAC1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(-c2cccc(C)c2C)s1)C1CC1
InChIInChI=1S/C17H21NS/c1-11-5-4-6-14(12(11)2)15-9-10-16(19-15)17(18-3)13-7-8-13/h4-6,9-10,13,17-18H,7-8H2,1-3H3
InChIKeyXYDWOWPRTOTTPY-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.70
Rot. Bonds4

About 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine

1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 43287604) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID43287604
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNC(c1ccc(-c2cccc(C)c2C)s1)C1CC1
InChIInChI=1S/C17H21NS/c1-11-5-4-6-14(12(11)2)15-9-10-16(19-15)17(18-3)13-7-8-13/h4-6,9-10,13,17-18H,7-8H2,1-3H3
InChIKeyXYDWOWPRTOTTPY-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
CID 43287687
1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
CID 63400602
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43287807
1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43288068
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412
1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43288016
1-cyclopropyl-N-methyl-1-(5-naphthalen-2-ylthiophen-2-yl)methanamine
CID 43287655
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine (CID 43287604) is 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine is CNC(c1ccc(-c2cccc(C)c2C)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is XYDWOWPRTOTTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-11-5-4-6-14(12(11)2)15-9-10-16(19-15)17(18-3)13-7-8-13/h4-6,9-10,13,17-18H,7-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine?
1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43287604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).