N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine

C17H20FNOS — CID 63814518

IUPACN-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
SMILESCOc1ccccc1Sc1ccc(F)cc1CNC(C)C
InChIInChI=1S/C17H20FNOS/c1-12(2)19-11-13-10-14(18)8-9-16(13)21-17-7-5-4-6-15(17)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyXHCWHCVNXHBVOP-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.48
Rot. Bonds6

About N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine (PubChem CID 63814518) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
PubChem CID63814518
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
SMILESCOc1ccccc1Sc1ccc(F)cc1CNC(C)C
InChIInChI=1S/C17H20FNOS/c1-12(2)19-11-13-10-14(18)8-9-16(13)21-17-7-5-4-6-15(17)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyXHCWHCVNXHBVOP-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 78951739
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
N-[[5-fluoro-2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761647
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829
N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43313686
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 62198279
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine (CID 63814518) is N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine is COc1ccccc1Sc1ccc(F)cc1CNC(C)C.
What is the InChIKey of N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine?
The InChIKey is XHCWHCVNXHBVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12(2)19-11-13-10-14(18)8-9-16(13)21-17-7-5-4-6-15(17)20-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine has a molecular weight of 305.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 63814518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).