[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol

C17H28N2O2 — CID 114780269

IUPAC[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1ccc(C(N)CCN2CC(CO)OC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2O2/c1-13-4-6-14(7-5-13)16(18)8-9-19-10-15(11-20)21-17(2,3)12-19/h4-7,15-16,20H,8-12,18H2,1-3H3
InChIKeyBZTHNACEEAIEGF-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.86
Rot. Bonds5

About [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114780269) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114780269
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1ccc(C(N)CCN2CC(CO)OC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2O2/c1-13-4-6-14(7-5-13)16(18)8-9-19-10-15(11-20)21-17(2,3)12-19/h4-7,15-16,20H,8-12,18H2,1-3H3
InChIKeyBZTHNACEEAIEGF-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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Related Compounds

[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779812
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
1-[4-(aminomethyl)phenyl]-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114776470
[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776376
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102745806
(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
CID 114779668
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102744332
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
CID 114779883
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114780269) is [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol is Cc1ccc(C(N)CCN2CC(CO)OC(C)(C)C2)cc1.
What is the InChIKey of [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is BZTHNACEEAIEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-4-6-14(7-5-13)16(18)8-9-19-10-15(11-20)21-17(2,3)12-19/h4-7,15-16,20H,8-12,18H2,1-3H3.
What are the key properties of [4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-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-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114780269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).