N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine

C14H19BrFNS — CID 103786780

IUPACN-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(F)cc2Br)C1
InChIInChI=1S/C14H19BrFNS/c1-9(13-6-3-10(16)7-14(13)15)17-11-4-5-12(8-11)18-2/h3,6-7,9,11-12,17H,4-5,8H2,1-2H3
InChIKeyBACPKFSGYIDMMY-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine

N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 103786780) has the molecular formula C14H19BrFNS and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID103786780
Molecular FormulaC14H19BrFNS
Molecular Weight332.28 g/mol
Exact Mass331.04
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NC(C)c2ccc(F)cc2Br)C1
InChIInChI=1S/C14H19BrFNS/c1-9(13-6-3-10(16)7-14(13)15)17-11-4-5-12(8-11)18-2/h3,6-7,9,11-12,17H,4-5,8H2,1-2H3
InChIKeyBACPKFSGYIDMMY-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
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N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
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N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
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N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
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2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
CID 113261573
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CID 130625932
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269
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CID 103905794

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine (CID 103786780) is N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NC(C)c2ccc(F)cc2Br)C1.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is BACPKFSGYIDMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNS/c1-9(13-6-3-10(16)7-14(13)15)17-11-4-5-12(8-11)18-2/h3,6-7,9,11-12,17H,4-5,8H2,1-2H3.
What are the key properties of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine?
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 332.28 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).