N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine

C14H22FNS — CID 79704216

IUPACN-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1cc(C)cc(F)c1
InChIInChI=1S/C14H22FNS/c1-4-6-16-14(10-17-5-2)12-7-11(3)8-13(15)9-12/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyQCZXKZQAWUGUJC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.93
Rot. Bonds7

About N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine

N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine (PubChem CID 79704216) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine
PubChem CID79704216
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1cc(C)cc(F)c1
InChIInChI=1S/C14H22FNS/c1-4-6-16-14(10-17-5-2)12-7-11(3)8-13(15)9-12/h7-9,14,16H,4-6,10H2,1-3H3
InChIKeyQCZXKZQAWUGUJC-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
N-[2-tert-butylsulfanyl-1-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 65132746
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
CID 79704702
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 65127726
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine (CID 79704216) is N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine is CCCNC(CSCC)c1cc(C)cc(F)c1.
What is the InChIKey of N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine?
The InChIKey is QCZXKZQAWUGUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-4-6-16-14(10-17-5-2)12-7-11(3)8-13(15)9-12/h7-9,14,16H,4-6,10H2,1-3H3.
What are the key properties of N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine?
N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79704216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).