(2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine

C16H24FNO2 — CID 99825354

IUPAC(2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
SMILESCOC1(CN[C@@H](C)Cc2ccccc2F)CCOCC1
InChIInChI=1S/C16H24FNO2/c1-13(11-14-5-3-4-6-15(14)17)18-12-16(19-2)7-9-20-10-8-16/h3-6,13,18H,7-12H2,1-2H3/t13-/m0/s1
InChIKeyMVFIUSNMUPWFBW-ZDUSSCGKSA-N
MW281.37 g/mol
LogP2.54
Rot. Bonds6

About (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine

(2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine (PubChem CID 99825354) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
PubChem CID99825354
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
SMILESCOC1(CN[C@@H](C)Cc2ccccc2F)CCOCC1
InChIInChI=1S/C16H24FNO2/c1-13(11-14-5-3-4-6-15(14)17)18-12-16(19-2)7-9-20-10-8-16/h3-6,13,18H,7-12H2,1-2H3/t13-/m0/s1
InChIKeyMVFIUSNMUPWFBW-ZDUSSCGKSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine (CID 99825354) is (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine is COC1(CN[C@@H](C)Cc2ccccc2F)CCOCC1.
What is the InChIKey of (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
The InChIKey is MVFIUSNMUPWFBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-13(11-14-5-3-4-6-15(14)17)18-12-16(19-2)7-9-20-10-8-16/h3-6,13,18H,7-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
(2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 99825354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).