1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine

C11H13F2NS — CID 117330846

IUPAC1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine
SMILESCSc1ccc(F)c(CC2(N)CC2)c1F
InChIInChI=1S/C11H13F2NS/c1-15-9-3-2-8(12)7(10(9)13)6-11(14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyDGSPUNHKYQZLCV-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.72
Rot. Bonds3

About 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine

1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117330846) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine
PubChem CID117330846
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine
SMILESCSc1ccc(F)c(CC2(N)CC2)c1F
InChIInChI=1S/C11H13F2NS/c1-15-9-3-2-8(12)7(10(9)13)6-11(14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyDGSPUNHKYQZLCV-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117310716
2-[(1-aminocyclopropyl)methyl]-3-fluoro-N,N-dimethylaniline
CID 117297854
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 106265793
1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117386726
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200
2-ethoxy-1,3-difluoro-4-methylsulfanylbenzene
CID 164894235
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 117409349
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
2-[1-(2,6-difluoro-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117399171
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117335411
2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine (CID 117330846) is 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine is CSc1ccc(F)c(CC2(N)CC2)c1F.
What is the InChIKey of 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is DGSPUNHKYQZLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c1-15-9-3-2-8(12)7(10(9)13)6-11(14)4-5-11/h2-3H,4-6,14H2,1H3.
What are the key properties of 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine?
1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 229.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluoro-3-methylsulfanylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117330846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).