N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine

C14H22FNS — CID 113474259

IUPACN-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
SMILESCCNCC(CCCSC)c1ccc(F)cc1
InChIInChI=1S/C14H22FNS/c1-3-16-11-13(5-4-10-17-2)12-6-8-14(15)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3
InChIKeyMPXZPDUVHFRZBZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.66
Rot. Bonds8

About N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine

N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine (PubChem CID 113474259) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
PubChem CID113474259
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
SMILESCCNCC(CCCSC)c1ccc(F)cc1
InChIInChI=1S/C14H22FNS/c1-3-16-11-13(5-4-10-17-2)12-6-8-14(15)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3
InChIKeyMPXZPDUVHFRZBZ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
4-tert-butylsulfonyl-N-ethyl-2-(4-fluorophenyl)butan-1-amine
CID 106730134
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441698
N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79441697
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine (CID 113474259) is N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine is CCNCC(CCCSC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine?
The InChIKey is MPXZPDUVHFRZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-3-16-11-13(5-4-10-17-2)12-6-8-14(15)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine?
N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 113474259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).