[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C16H26N2O3 — CID 114776400

IUPAC[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCOc1ccc(N)cc1CN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H26N2O3/c1-4-20-15-6-5-13(17)7-12(15)8-18-9-14(10-19)21-16(2,3)11-18/h5-7,14,19H,4,8-11,17H2,1-3H3
InChIKeyMZZSWZWFMICXFV-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.64
Rot. Bonds5

About [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776400) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776400
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCOc1ccc(N)cc1CN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H26N2O3/c1-4-20-15-6-5-13(17)7-12(15)8-18-9-14(10-19)21-16(2,3)11-18/h5-7,14,19H,4,8-11,17H2,1-3H3
InChIKeyMZZSWZWFMICXFV-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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

Cambridge id 6259695
CID 2892520
1-(2-Allylphenoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 3237370
1-(4-Phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 3296216
N-[4-[2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 3382077
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951
1-(2,4-Dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 24761367
1-(4-Ethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 24761413
1-(2,5-Dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 24761419
N-[3-Benzyl-4-(2-hydroxy-3-isopropylamino-propoxy)-phenyl]-propionamide
CID 44354631
1-[4-(3-Methylphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
CID 260287
Acetamide, N-(4-(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-
CID 47407
N-{4-[3-(4-benzyl-1-piperazinyl)-2-hydroxypropoxy]phenyl}acetamide
CID 2962064

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776400) is [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is CCOc1ccc(N)cc1CN1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is MZZSWZWFMICXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-20-15-6-5-13(17)7-12(15)8-18-9-14(10-19)21-16(2,3)11-18/h5-7,14,19H,4,8-11,17H2,1-3H3.
What are the key properties of [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).