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

C16H24FNO2 — CID 97107006

IUPAC(2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
SMILESCOC1(CN[C@H](C)Cc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C16H24FNO2/c1-13(11-14-3-5-15(17)6-4-14)18-12-16(19-2)7-9-20-10-8-16/h3-6,13,18H,7-12H2,1-2H3/t13-/m1/s1
InChIKeyQWWOWZYQSAUILZ-CYBMUJFWSA-N
MW281.37 g/mol
LogP2.54
Rot. Bonds6

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

(2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine (PubChem CID 97107006) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
PubChem CID97107006
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
SMILESCOC1(CN[C@H](C)Cc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C16H24FNO2/c1-13(11-14-3-5-15(17)6-4-14)18-12-16(19-2)7-9-20-10-8-16/h3-6,13,18H,7-12H2,1-2H3/t13-/m1/s1
InChIKeyQWWOWZYQSAUILZ-CYBMUJFWSA-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

Analyze (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine (CID 97107006) is (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine is COC1(CN[C@H](C)Cc2ccc(F)cc2)CCOCC1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
The InChIKey is QWWOWZYQSAUILZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-13(11-14-3-5-15(17)6-4-14)18-12-16(19-2)7-9-20-10-8-16/h3-6,13,18H,7-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine?
(2R)-1-(4-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 (2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 97107006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).