N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine

C14H19BrFNS — CID 114121487

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNS/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
InChIKeyLFFFVGHABNERMU-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.35
Rot. Bonds5

About N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine

N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine (PubChem CID 114121487) has the molecular formula C14H19BrFNS and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
PubChem CID114121487
Molecular FormulaC14H19BrFNS
Molecular Weight332.28 g/mol
Exact Mass331.04
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCc1ccc(Br)c(F)c1
InChIInChI=1S/C14H19BrFNS/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
InChIKeyLFFFVGHABNERMU-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121381
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103773733
2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 114121370
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121479
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
CID 114121302
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
3-[(4-bromo-3-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81441131
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 113243458
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 81436280
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
CID 81002478

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine (CID 114121487) is N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine is CCSC1CCCC1NCc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The InChIKey is LFFFVGHABNERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNS/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-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine has a molecular weight of 332.28 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 114121487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).