1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol

C19H32N2O3 — CID 111120244

IUPAC1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN(C)CCN2CCOCC2)c1C
InChIInChI=1S/C19H32N2O3/c1-15-5-6-16(2)19(17(15)3)24-14-18(22)13-20(4)7-8-21-9-11-23-12-10-21/h5-6,18,22H,7-14H2,1-4H3
InChIKeyQUMQIXXDJQVVPP-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.62
Rot. Bonds8

About 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol

1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol (PubChem CID 111120244) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
PubChem CID111120244
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN(C)CCN2CCOCC2)c1C
InChIInChI=1S/C19H32N2O3/c1-15-5-6-16(2)19(17(15)3)24-14-18(22)13-20(4)7-8-21-9-11-23-12-10-21/h5-6,18,22H,7-14H2,1-4H3
InChIKeyQUMQIXXDJQVVPP-UHFFFAOYSA-N
XLogP1.62
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
1-[(2-methoxyphenyl)methyl-methylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 17471423
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-(azepan-1-yl)-3-[3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenoxy]propan-2-ol
CID 45207449
1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 155992119
1-(1,2,4-triazol-4-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110877250
1-morpholin-4-yl-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 11971912
1-[methyl(2-naphthalen-1-ylethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110922046
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93162217

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol (CID 111120244) is 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OCC(O)CN(C)CCN2CCOCC2)c1C.
What is the InChIKey of 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The InChIKey is QUMQIXXDJQVVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15-5-6-16(2)19(17(15)3)24-14-18(22)13-20(4)7-8-21-9-11-23-12-10-21/h5-6,18,22H,7-14H2,1-4H3.
What are the key properties of 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol?
1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-morpholin-4-ylethyl)amino]-3-(2,3,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 111120244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).