[4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol

C17H28N2O2 — CID 81193902

IUPAC[4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccc(C)cc1)N1CC(CO)OCC1C
InChIInChI=1S/C17H28N2O2/c1-4-16(18)17(14-7-5-12(2)6-8-14)19-9-15(10-20)21-11-13(19)3/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3
InChIKeyALHWOFFVBSCCLH-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.86
Rot. Bonds5

About [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol

[4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81193902) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81193902
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccc(C)cc1)N1CC(CO)OCC1C
InChIInChI=1S/C17H28N2O2/c1-4-16(18)17(14-7-5-12(2)6-8-14)19-9-15(10-20)21-11-13(19)3/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3
InChIKeyALHWOFFVBSCCLH-UHFFFAOYSA-N
XLogP1.86
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol (CID 81193902) is [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol is CCC(N)C(c1ccc(C)cc1)N1CC(CO)OCC1C.
What is the InChIKey of [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is ALHWOFFVBSCCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-16(18)17(14-7-5-12(2)6-8-14)19-9-15(10-20)21-11-13(19)3/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3.
What are the key properties of [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol?
[4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81193902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).