1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

C12H15ClFNS — CID 107267547

IUPAC1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(Cl)c2F)CC1
InChIInChI=1S/C12H15ClFNS/c1-16-12(5-6-12)8-15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3
InChIKeyNYMIXDXGGFXMNA-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.46
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (PubChem CID 107267547) has the molecular formula C12H15ClFNS and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
PubChem CID107267547
Molecular FormulaC12H15ClFNS
Molecular Weight259.78 g/mol
Exact Mass259.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(Cl)c2F)CC1
InChIInChI=1S/C12H15ClFNS/c1-16-12(5-6-12)8-15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3
InChIKeyNYMIXDXGGFXMNA-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115696036
2-fluoro-3-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]benzonitrile
CID 114116356
3-chloro-2-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]phenol
CID 107267317
1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115807
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267379
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115787
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 107267261
3-[(3-chloro-2-fluorophenyl)methylamino]propanenitrile
CID 114487253

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (CID 107267547) is 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is CSC1(CNCc2cccc(Cl)c2F)CC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The InChIKey is NYMIXDXGGFXMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNS/c1-16-12(5-6-12)8-15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine has a molecular weight of 259.78 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107267547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).