N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine

C15H24FNS — CID 60688009

IUPACN-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine
SMILESCCCCCC(C)NCCSc1ccccc1F
InChIInChI=1S/C15H24FNS/c1-3-4-5-8-13(2)17-11-12-18-15-10-7-6-9-14(15)16/h6-7,9-10,13,17H,3-5,8,11-12H2,1-2H3
InChIKeyGHHNBYKGEAXOAH-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.48
Rot. Bonds9

About N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine

N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine (PubChem CID 60688009) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine
PubChem CID60688009
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine
SMILESCCCCCC(C)NCCSc1ccccc1F
InChIInChI=1S/C15H24FNS/c1-3-4-5-8-13(2)17-11-12-18-15-10-7-6-9-14(15)16/h6-7,9-10,13,17H,3-5,8,11-12H2,1-2H3
InChIKeyGHHNBYKGEAXOAH-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.48
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

6-(2-fluorophenyl)sulfanyl-N-propylhexan-3-amine
CID 106808222
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 62585057
N-[2-(3-methoxyphenyl)sulfanylethyl]heptan-2-amine
CID 62582425
N-(2-phenylpropyl)nonan-2-amine
CID 43130018
1-(2-butoxyethylsulfanyl)-2-fluorobenzene
CID 78903276
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
5-methyl-N-[2-(2-methylphenyl)sulfanylethyl]hexan-2-amine
CID 55194967
4-(2,5-difluorophenyl)sulfanyl-N-propylbutan-2-amine
CID 64649454
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 107782431
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
1-[5-(diethylamino)pentan-2-yl]-3-[2-(2-fluorophenyl)sulfanylethyl]-2-methylguanidine;hydroiodide
CID 111826794

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine (CID 60688009) is N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine is CCCCCC(C)NCCSc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine?
The InChIKey is GHHNBYKGEAXOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-3-4-5-8-13(2)17-11-12-18-15-10-7-6-9-14(15)16/h6-7,9-10,13,17H,3-5,8,11-12H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine?
N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)sulfanylethyl]heptan-2-amine is sourced from PubChem (CID 60688009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).