N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine

C14H22FNS — CID 60884515

IUPACN-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SC(C)C)c(F)c1
InChIInChI=1S/C14H22FNS/c1-5-8-16-11(4)12-6-7-14(13(15)9-12)17-10(2)3/h6-7,9-11,16H,5,8H2,1-4H3
InChIKeyWOOPXCOZVHAGQJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.39
Rot. Bonds6

About N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine

N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine (PubChem CID 60884515) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
PubChem CID60884515
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(SC(C)C)c(F)c1
InChIInChI=1S/C14H22FNS/c1-5-8-16-11(4)12-6-7-14(13(15)9-12)17-10(2)3/h6-7,9-11,16H,5,8H2,1-4H3
InChIKeyWOOPXCOZVHAGQJ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
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1-(3-fluoro-4-propan-2-ylsulfanylphenyl)-N-methylethanamine
CID 60884307
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
N-[1-[3-fluoro-4-(2-methylfuran-3-yl)sulfanylphenyl]ethyl]propan-1-amine
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N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[1-(3-bromo-4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 62912795
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
CID 63685288
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
N-[1-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63533344
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine (CID 60884515) is N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(SC(C)C)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine?
The InChIKey is WOOPXCOZVHAGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-5-8-16-11(4)12-6-7-14(13(15)9-12)17-10(2)3/h6-7,9-11,16H,5,8H2,1-4H3.
What are the key properties of N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine?
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60884515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).