2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C16H19ClN2S — CID 81251416

IUPAC2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCN(C)Cc1ccccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C16H19ClN2S/c1-19(2)10-11-5-3-4-6-13(11)18-14-7-8-15-12(14)9-16(17)20-15/h3-6,9,14,18H,7-8,10H2,1-2H3
InChIKeyLNMNPOYZQGEYEH-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.56
Rot. Bonds4

About 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251416) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251416
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCN(C)Cc1ccccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C16H19ClN2S/c1-19(2)10-11-5-3-4-6-13(11)18-14-7-8-15-12(14)9-16(17)20-15/h3-6,9,14,18H,7-8,10H2,1-2H3
InChIKeyLNMNPOYZQGEYEH-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251416) is 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CN(C)Cc1ccccc1NC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is LNMNPOYZQGEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-19(2)10-11-5-3-4-6-13(11)18-14-7-8-15-12(14)9-16(17)20-15/h3-6,9,14,18H,7-8,10H2,1-2H3.
What are the key properties of 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 306.86 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).