N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine

C16H18FNS — CID 63805247

IUPACN-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Sc2ccccc2F)cc1
InChIInChI=1S/C16H18FNS/c1-12(2)18-11-13-7-9-14(10-8-13)19-16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3
InChIKeyGNQFOPXFCUADHP-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.47
Rot. Bonds5

About N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine

N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine (PubChem CID 63805247) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine
PubChem CID63805247
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC NameN-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Sc2ccccc2F)cc1
InChIInChI=1S/C16H18FNS/c1-12(2)18-11-13-7-9-14(10-8-13)19-16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3
InChIKeyGNQFOPXFCUADHP-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806640
N-[(3-methyl-4-phenylsulfanylphenyl)methyl]propan-2-amine
CID 63805209
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-[[4-(4-bromophenyl)sulfanyl-3,5-difluorophenyl]methyl]propan-2-amine
CID 63808869
4-(2-fluorophenyl)sulfanylphenol
CID 91875605
N-[[4-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761605
N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63552892
N-[(3-fluoro-4-pyrimidin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63805505
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[4-[(4-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 114859726
N-[[6-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639848
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine (CID 63805247) is N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Sc2ccccc2F)cc1.
What is the InChIKey of N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine?
The InChIKey is GNQFOPXFCUADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-12(2)18-11-13-7-9-14(10-8-13)19-16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine?
N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 63805247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).