1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine

C10H12FNS — CID 117287337

IUPAC1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCSc1c(F)cccc1C1(N)CC1
InChIInChI=1S/C10H12FNS/c1-13-9-7(10(12)5-6-10)3-2-4-8(9)11/h2-4H,5-6,12H2,1H3
InChIKeySVBAXMRYOPGAGG-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.50
Rot. Bonds2

About 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine

1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine (PubChem CID 117287337) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
PubChem CID117287337
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCSc1c(F)cccc1C1(N)CC1
InChIInChI=1S/C10H12FNS/c1-13-9-7(10(12)5-6-10)3-2-4-8(9)11/h2-4H,5-6,12H2,1H3
InChIKeySVBAXMRYOPGAGG-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 84736108
4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
CID 115034996
1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine
CID 117330937
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173
1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 117370183
1-[4-(2-fluorophenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257642
1-(7-fluoronaphthalen-1-yl)cyclopropan-1-amine
CID 105453517
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine (CID 117287337) is 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine is CSc1c(F)cccc1C1(N)CC1.
What is the InChIKey of 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine?
The InChIKey is SVBAXMRYOPGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-13-9-7(10(12)5-6-10)3-2-4-8(9)11/h2-4H,5-6,12H2,1H3.
What are the key properties of 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine?
1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 117287337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).