1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine

C19H23NS — CID 105052150

IUPAC1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2c(s1)CCC2)c1ccccc1C1CCC1
InChIInChI=1S/C19H23NS/c1-20-19(18-12-14-8-5-11-17(14)21-18)16-10-3-2-9-15(16)13-6-4-7-13/h2-3,9-10,12-13,19-20H,4-8,11H2,1H3
InChIKeyZQNHWCIISZSFRF-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.81
Rot. Bonds4

About 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine

1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine (PubChem CID 105052150) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
PubChem CID105052150
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2c(s1)CCC2)c1ccccc1C1CCC1
InChIInChI=1S/C19H23NS/c1-20-19(18-12-14-8-5-11-17(14)21-18)16-10-3-2-9-15(16)13-6-4-7-13/h2-3,9-10,12-13,19-20H,4-8,11H2,1H3
InChIKeyZQNHWCIISZSFRF-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853789
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049004
1-(2,5-dibromothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43486870
1-(2,5-dichlorothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43486730
1-(5-chloro-2-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 104545915
1-(5-bromo-2-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105011696
1-cyclobutyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049312
1-(5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 43485370
1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052155
1-(2-cyclobutylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105052188
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 104988236

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine (CID 105052150) is 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine is CNC(c1cc2c(s1)CCC2)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
The InChIKey is ZQNHWCIISZSFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-20-19(18-12-14-8-5-11-17(14)21-18)16-10-3-2-9-15(16)13-6-4-7-13/h2-3,9-10,12-13,19-20H,4-8,11H2,1H3.
What are the key properties of 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine?
1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine has a molecular weight of 297.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105052150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).