N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine

C15H15ClFNS — CID 61207961

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C15H15ClFNS/c16-13-4-2-5-14(17)12(13)9-18-8-11-7-10-3-1-6-15(10)19-11/h2,4-5,7,18H,1,3,6,8-9H2
InChIKeySJVMKEUSQPTBLC-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.32
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (PubChem CID 61207961) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
PubChem CID61207961
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C15H15ClFNS/c16-13-4-2-5-14(17)12(13)9-18-8-11-7-10-3-1-6-15(10)19-11/h2,4-5,7,18H,1,3,6,8-9H2
InChIKeySJVMKEUSQPTBLC-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine with MolForge

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Related Compounds

1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol
CID 61207419
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzene-1,2-diol
CID 61320351
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzonitrile
CID 61206641
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide
CID 103299818
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)-1-(3-fluorophenyl)ethanamine
CID 61208351

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine (CID 61207961) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is Fc1cccc(Cl)c1CNCc1cc2c(s1)CCC2.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
The InChIKey is SJVMKEUSQPTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c16-13-4-2-5-14(17)12(13)9-18-8-11-7-10-3-1-6-15(10)19-11/h2,4-5,7,18H,1,3,6,8-9H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine has a molecular weight of 295.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine is sourced from PubChem (CID 61207961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).