N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine

C19H25NS — CID 63452368

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2cc3c(s2)CCC3)cc1
InChIInChI=1S/C19H25NS/c1-3-5-15-8-10-16(11-9-15)14(2)20-13-18-12-17-6-4-7-19(17)21-18/h8-12,14,20H,3-7,13H2,1-2H3
InChIKeyDWYIZDFTMWEMBJ-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.04
Rot. Bonds6

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine (PubChem CID 63452368) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
PubChem CID63452368
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2cc3c(s2)CCC3)cc1
InChIInChI=1S/C19H25NS/c1-3-5-15-8-10-16(11-9-15)14(2)20-13-18-12-17-6-4-7-19(17)21-18/h8-12,14,20H,3-7,13H2,1-2H3
InChIKeyDWYIZDFTMWEMBJ-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-nitrophenyl)ethanamine
CID 61206837
1-(3-bromo-4-fluorophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61207226
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63452238
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 61208351
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 61207957
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-phenylpropan-1-amine
CID 61207209
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63452712
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)undecan-6-amine
CID 63452755
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 63452623
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine (CID 63452368) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCc2cc3c(s2)CCC3)cc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is DWYIZDFTMWEMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-5-15-8-10-16(11-9-15)14(2)20-13-18-12-17-6-4-7-19(17)21-18/h8-12,14,20H,3-7,13H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.04, 6 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-ylmethyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 63452368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).