N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine

C18H23NOS — CID 61206657

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1cc2c(s1)CCC2)c1ccccc1OC
InChIInChI=1S/C18H23NOS/c1-3-16(15-8-4-5-9-17(15)20-2)19-12-14-11-13-7-6-10-18(13)21-14/h4-5,8-9,11,16,19H,3,6-7,10,12H2,1-2H3
InChIKeyXTWLZVHPWVLPGR-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.49
Rot. Bonds6

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 61206657) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine
PubChem CID61206657
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1cc2c(s1)CCC2)c1ccccc1OC
InChIInChI=1S/C18H23NOS/c1-3-16(15-8-4-5-9-17(15)20-2)19-12-14-11-13-7-6-10-18(13)21-14/h4-5,8-9,11,16,19H,3,6-7,10,12H2,1-2H3
InChIKeyXTWLZVHPWVLPGR-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-ethylphenyl)propan-1-amine
CID 63452238
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 62084477
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)undecan-6-amine
CID 63452755
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine (CID 61206657) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine is CCC(NCc1cc2c(s1)CCC2)c1ccccc1OC.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is XTWLZVHPWVLPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-3-16(15-8-4-5-9-17(15)20-2)19-12-14-11-13-7-6-10-18(13)21-14/h4-5,8-9,11,16,19H,3,6-7,10,12H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 61206657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).