1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine

C17H19F2NS — CID 103851306

IUPAC1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
SMILESFc1cc(F)cc(CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C17H19F2NS/c18-14-8-12(9-15(19)10-14)11-20-17(13-4-1-2-5-13)16-6-3-7-21-16/h3,6-10,13,17,20H,1-2,4-5,11H2
InChIKeyDQVFNMOSFGABCT-UHFFFAOYSA-N
MW307.41 g/mol
LogP5.05
Rot. Bonds5

About 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 103851306) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID103851306
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
SMILESFc1cc(F)cc(CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C17H19F2NS/c18-14-8-12(9-15(19)10-14)11-20-17(13-4-1-2-5-13)16-6-3-7-21-16/h3,6-10,13,17,20H,1-2,4-5,11H2
InChIKeyDQVFNMOSFGABCT-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 63452373
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
1-cyclopentyl-N-[(1-ethylpyrrol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 66414954
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523
N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
CID 63477350
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
CID 60707258
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577
2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
CID 63324944
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine (CID 103851306) is 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine is Fc1cc(F)cc(CNC(c2cccs2)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is DQVFNMOSFGABCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c18-14-8-12(9-15(19)10-14)11-20-17(13-4-1-2-5-13)16-6-3-7-21-16/h3,6-10,13,17,20H,1-2,4-5,11H2.
What are the key properties of 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 307.41 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 103851306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).