1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol

C19H31NO4 — CID 42849357

IUPAC1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1OCC1CN(CC(O)COCC(C)C)CCO1
InChIInChI=1S/C19H31NO4/c1-15(2)12-22-13-17(21)10-20-8-9-23-18(11-20)14-24-19-7-5-4-6-16(19)3/h4-7,15,17-18,21H,8-14H2,1-3H3
InChIKeyNSDOWYKIQPQYLG-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.11
Rot. Bonds9

About 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol

1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 42849357) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
PubChem CID42849357
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccccc1OCC1CN(CC(O)COCC(C)C)CCO1
InChIInChI=1S/C19H31NO4/c1-15(2)12-22-13-17(21)10-20-8-9-23-18(11-20)14-24-19-7-5-4-6-16(19)3/h4-7,15,17-18,21H,8-14H2,1-3H3
InChIKeyNSDOWYKIQPQYLG-UHFFFAOYSA-N
XLogP2.11
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 46059444
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849352
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849347
(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
CID 98735681
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 46060301
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060142
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 95330936

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol (CID 42849357) is 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol is Cc1ccccc1OCC1CN(CC(O)COCC(C)C)CCO1.
What is the InChIKey of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is NSDOWYKIQPQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-15(2)12-22-13-17(21)10-20-8-9-23-18(11-20)14-24-19-7-5-4-6-16(19)3/h4-7,15,17-18,21H,8-14H2,1-3H3.
What are the key properties of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol?
1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 337.46 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 42849357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).