N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine

C14H22FNS — CID 79445793

IUPACN-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
SMILESCCNC(CSc1cccc(F)c1)C(C)CC
InChIInChI=1S/C14H22FNS/c1-4-11(3)14(16-5-2)10-17-13-8-6-7-12(15)9-13/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyADCATEIWQOZOHT-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.94
Rot. Bonds7

About N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine

N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine (PubChem CID 79445793) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
PubChem CID79445793
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
SMILESCCNC(CSc1cccc(F)c1)C(C)CC
InChIInChI=1S/C14H22FNS/c1-4-11(3)14(16-5-2)10-17-13-8-6-7-12(15)9-13/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyADCATEIWQOZOHT-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178412
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
N-ethyl-2-(3-fluorophenyl)pentan-3-amine
CID 79308586
N,3-dimethyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 79446723
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethyl-3-methylpentan-2-amine
CID 115480435
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine (CID 79445793) is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine is CCNC(CSc1cccc(F)c1)C(C)CC.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine?
The InChIKey is ADCATEIWQOZOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-4-11(3)14(16-5-2)10-17-13-8-6-7-12(15)9-13/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine?
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine is sourced from PubChem (CID 79445793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).