N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine

C16H24FNOS — CID 66052711

IUPACN-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1F)CC1CCOCC1
InChIInChI=1S/C16H24FNOS/c1-2-18-14(11-13-7-9-19-10-8-13)12-20-16-6-4-3-5-15(16)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyGBABVPYBAGJHJL-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.71
Rot. Bonds7

About N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine

N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 66052711) has the molecular formula C16H24FNOS and a molecular weight of 297.44 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
PubChem CID66052711
Molecular FormulaC16H24FNOS
Molecular Weight297.44 g/mol
Exact Mass297.16
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(CSc1ccccc1F)CC1CCOCC1
InChIInChI=1S/C16H24FNOS/c1-2-18-14(11-13-7-9-19-10-8-13)12-20-16-6-4-3-5-15(16)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyGBABVPYBAGJHJL-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine (CID 66052711) is N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine is CCNC(CSc1ccccc1F)CC1CCOCC1.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is GBABVPYBAGJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNOS/c1-2-18-14(11-13-7-9-19-10-8-13)12-20-16-6-4-3-5-15(16)17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine?
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 66052711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).