[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol

C16H25FN2O2 — CID 81213258

IUPAC[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol
SMILESCc1ccc(C(N)CCN2CC(CO)OCC2C)cc1F
InChIInChI=1S/C16H25FN2O2/c1-11-3-4-13(7-15(11)17)16(18)5-6-19-8-14(9-20)21-10-12(19)2/h3-4,7,12,14,16,20H,5-6,8-10,18H2,1-2H3
InChIKeyYLYQPGGXYRCQKV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.61
Rot. Bonds5

About [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol

[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81213258) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81213258
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol
SMILESCc1ccc(C(N)CCN2CC(CO)OCC2C)cc1F
InChIInChI=1S/C16H25FN2O2/c1-11-3-4-13(7-15(11)17)16(18)5-6-19-8-14(9-20)21-10-12(19)2/h3-4,7,12,14,16,20H,5-6,8-10,18H2,1-2H3
InChIKeyYLYQPGGXYRCQKV-UHFFFAOYSA-N
XLogP1.61
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol (CID 81213258) is [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol is Cc1ccc(C(N)CCN2CC(CO)OCC2C)cc1F.
What is the InChIKey of [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is YLYQPGGXYRCQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11-3-4-13(7-15(11)17)16(18)5-6-19-8-14(9-20)21-10-12(19)2/h3-4,7,12,14,16,20H,5-6,8-10,18H2,1-2H3.
What are the key properties of [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol?
[4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 296.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81213258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).