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

C16H18ClNOS — CID 81252394

IUPAC2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCOCc1ccccc1CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C16H18ClNOS/c1-19-10-12-5-3-2-4-11(12)9-18-14-6-7-15-13(14)8-16(17)20-15/h2-5,8,14,18H,6-7,9-10H2,1H3
InChIKeyMUUKAJWIPNXION-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.32
Rot. Bonds5

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

2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252394) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252394
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCOCc1ccccc1CNC1CCc2sc(Cl)cc21
InChIInChI=1S/C16H18ClNOS/c1-19-10-12-5-3-2-4-11(12)9-18-14-6-7-15-13(14)8-16(17)20-15/h2-5,8,14,18H,6-7,9-10H2,1H3
InChIKeyMUUKAJWIPNXION-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252564
2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81253003
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252189
2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 106899450
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251416
N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823
[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol
CID 81252902
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 81251528
N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301919
4-[[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]methyl]benzonitrile
CID 81251848
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252394) is 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is COCc1ccccc1CNC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is MUUKAJWIPNXION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-19-10-12-5-3-2-4-11(12)9-18-14-6-7-15-13(14)8-16(17)20-15/h2-5,8,14,18H,6-7,9-10H2,1H3.
What are the key properties of 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 307.85 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).