1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine

C8H9F2NS — CID 143484731

IUPAC1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine
SMILESCSNCc1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NS/c1-12-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
InChIKeyGBKSZSKZWXOUQK-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.33
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine

1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine (PubChem CID 143484731) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine
PubChem CID143484731
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine
SMILESCSNCc1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NS/c1-12-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
InChIKeyGBKSZSKZWXOUQK-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899776
3-chloro-N-[(3,5-difluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105409055
3-[(3,5-difluorophenyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 109482085
N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905457
N-[(3,5-difluorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 115978336
N-[(3,5-difluorophenyl)methyl]-3-methylbutan-1-amine
CID 21355559
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 105406084
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
(3,5-difluorophenyl)methylurea
CID 112708056

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine (CID 143484731) is 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine is CSNCc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine?
The InChIKey is GBKSZSKZWXOUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-12-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine?
1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine has a molecular weight of 189.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine is sourced from PubChem (CID 143484731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).