N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine

C14H19F2NS — CID 114121381

IUPACN-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NS/c1-2-18-14-5-3-4-13(14)17-9-10-6-7-11(15)12(16)8-10/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyHNMSYXZSJARVGD-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.73
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine

N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine (PubChem CID 114121381) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
PubChem CID114121381
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NS/c1-2-18-14-5-3-4-13(14)17-9-10-6-7-11(15)12(16)8-10/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyHNMSYXZSJARVGD-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

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121487
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121479
2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 114121370
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103773733
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
CID 114121302
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine (CID 114121381) is N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine is CCSC1CCCC1NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The InChIKey is HNMSYXZSJARVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-2-18-14-5-3-4-13(14)17-9-10-6-7-11(15)12(16)8-10/h6-8,13-14,17H,2-5,9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
N-[(3,4-difluorophenyl)methyl]-2-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]-2-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 114121381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).