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

C16H26N2O3 — CID 114776233

IUPAC[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCCOc1cccc(N2CC(CO)OC(C)(C)C2)c1N
InChIInChI=1S/C16H26N2O3/c1-4-8-20-14-7-5-6-13(15(14)17)18-9-12(10-19)21-16(2,3)11-18/h5-7,12,19H,4,8-11,17H2,1-3H3
InChIKeySDOGTDCRYXVZIM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.03
Rot. Bonds5

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

[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776233) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776233
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCCOc1cccc(N2CC(CO)OC(C)(C)C2)c1N
InChIInChI=1S/C16H26N2O3/c1-4-8-20-14-7-5-6-13(15(14)17)18-9-12(10-19)21-16(2,3)11-18/h5-7,12,19H,4,8-11,17H2,1-3H3
InChIKeySDOGTDCRYXVZIM-UHFFFAOYSA-N
XLogP2.03
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776376
2-(3-methylpiperidin-1-yl)-6-propoxyaniline
CID 113393275
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-6-methylsulfanylbenzenecarbothioamide
CID 114776969
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625
[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114777535
1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 103194379
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate
CID 115545734
[4-(6-amino-5-propan-2-ylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782706
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114776233) is [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol is CCCOc1cccc(N2CC(CO)OC(C)(C)C2)c1N.
What is the InChIKey of [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is SDOGTDCRYXVZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-8-20-14-7-5-6-13(15(14)17)18-9-12(10-19)21-16(2,3)11-18/h5-7,12,19H,4,8-11,17H2,1-3H3.
What are the key properties of [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).