N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine

C14H19F2NS — CID 103702377

IUPACN-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NS/c1-2-18-12-5-4-11(8-12)17-9-10-3-6-13(15)14(16)7-10/h3,6-7,11-12,17H,2,4-5,8-9H2,1H3
InChIKeyMVKFYIDIRGPADR-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.73
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine

N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine (PubChem CID 103702377) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
PubChem CID103702377
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NS/c1-2-18-12-5-4-11(8-12)17-9-10-3-6-13(15)14(16)7-10/h3,6-7,11-12,17H,2,4-5,8-9H2,1H3
InChIKeyMVKFYIDIRGPADR-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
CID 103702398
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
CID 103702283
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
N-[(4-chloro-3-nitrophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702417
N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121381
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
3-ethylsulfanyl-N-(furan-2-ylmethyl)cyclopentan-1-amine
CID 115656792

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine (CID 103702377) is N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine is CCSC1CCC(NCc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
The InChIKey is MVKFYIDIRGPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-2-18-12-5-4-11(8-12)17-9-10-3-6-13(15)14(16)7-10/h3,6-7,11-12,17H,2,4-5,8-9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine?
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103702377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).