N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine

C15H24FNS — CID 107761647

IUPACN-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCCC(C)CSc1ccc(F)cc1CNC(C)C
InChIInChI=1S/C15H24FNS/c1-5-12(4)10-18-15-7-6-14(16)8-13(15)9-17-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyAFTMMHOPWQYHIK-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.46
Rot. Bonds7

About N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 107761647) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID107761647
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCCC(C)CSc1ccc(F)cc1CNC(C)C
InChIInChI=1S/C15H24FNS/c1-5-12(4)10-18-15-7-6-14(16)8-13(15)9-17-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyAFTMMHOPWQYHIK-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]sulfanylacetate
CID 63807861
N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583
1-[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]ethanone
CID 107750480
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920741
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
4-fluoro-N-methyl-N-(4-methylpentan-2-yl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553420
N-[(2-butan-2-ylsulfanyl-5-fluorophenyl)methyl]ethanamine
CID 63806400
N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine
CID 114078502
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
CID 63809900
N-[[2-(cyclopentylmethylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 63814545
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine (CID 107761647) is N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine is CCC(C)CSc1ccc(F)cc1CNC(C)C.
What is the InChIKey of N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is AFTMMHOPWQYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-5-12(4)10-18-15-7-6-14(16)8-13(15)9-17-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3.
What are the key properties of N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107761647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).