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

C12H16FNS — CID 107267608

IUPAC1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNS/c1-15-12(5-6-12)9-14-8-10-3-2-4-11(13)7-10/h2-4,7,14H,5-6,8-9H2,1H3
InChIKeyWZFCENDWWWASSO-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.81
Rot. Bonds5

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

1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (PubChem CID 107267608) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
PubChem CID107267608
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCSC1(CNCc2cccc(F)c2)CC1
InChIInChI=1S/C12H16FNS/c1-15-12(5-6-12)9-14-8-10-3-2-4-11(13)7-10/h2-4,7,14H,5-6,8-9H2,1H3
InChIKeyWZFCENDWWWASSO-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060
1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 114115671
2-[1-[[(3-fluorophenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65481545
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267548
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267547
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (CID 107267608) is 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is CSC1(CNCc2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The InChIKey is WZFCENDWWWASSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-15-12(5-6-12)9-14-8-10-3-2-4-11(13)7-10/h2-4,7,14H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107267608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).