N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine

C18H23NS — CID 115850557

IUPACN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCC2)c1cccc(C)c1C
InChIInChI=1S/C18H23NS/c1-4-19-18(15-9-5-7-12(2)13(15)3)17-11-14-8-6-10-16(14)20-17/h5,7,9,11,18-19H,4,6,8,10H2,1-3H3
InChIKeyVUMYUYPQVXGRGX-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.55
Rot. Bonds4

About N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 115850557) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID115850557
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2c(s1)CCC2)c1cccc(C)c1C
InChIInChI=1S/C18H23NS/c1-4-19-18(15-9-5-7-12(2)13(15)3)17-11-14-8-6-10-16(14)20-17/h5,7,9,11,18-19H,4,6,8,10H2,1-3H3
InChIKeyVUMYUYPQVXGRGX-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-[(2,3-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115850440
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 115795104
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852558
N-[1-benzothiophen-7-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 105022091
N-[(2,5-dibromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 43493157
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
N-[(2,5-dimethylthiophen-3-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]ethanamine
CID 43491846
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-fluorophenyl)methyl]propan-1-amine
CID 115827907
N-[(3,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 43491299
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 106764437
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[2,3-dihydro-1-benzofuran-5-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 43489895

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine (CID 115850557) is N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1cc2c(s1)CCC2)c1cccc(C)c1C.
What is the InChIKey of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is VUMYUYPQVXGRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-4-19-18(15-9-5-7-12(2)13(15)3)17-11-14-8-6-10-16(14)20-17/h5,7,9,11,18-19H,4,6,8,10H2,1-3H3.
What are the key properties of N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine?
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115850557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).