(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

C18H26N4O2 — CID 129342344

IUPAC(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1cccc(C)c1OCCCN1CCO[C@@H](c2nncn2C)C1
InChIInChI=1S/C18H26N4O2/c1-14-6-4-7-15(2)17(14)24-10-5-8-22-9-11-23-16(12-22)18-20-19-13-21(18)3/h4,6-7,13,16H,5,8-12H2,1-3H3/t16-/m1/s1
InChIKeySWUUJDAHEKIFSQ-MRXNPFEDSA-N
MW330.43 g/mol
LogP2.27
Rot. Bonds6

About (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129342344) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129342344
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1cccc(C)c1OCCCN1CCO[C@@H](c2nncn2C)C1
InChIInChI=1S/C18H26N4O2/c1-14-6-4-7-15(2)17(14)24-10-5-8-22-9-11-23-16(12-22)18-20-19-13-21(18)3/h4,6-7,13,16H,5,8-12H2,1-3H3/t16-/m1/s1
InChIKeySWUUJDAHEKIFSQ-MRXNPFEDSA-N
XLogP2.27
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 128997059
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
(2S)-1-(3-methylphenoxy)-3-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-2-ol
CID 129340153
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
(2S)-4-[2-[(3R,5R)-3,5-dimethylcyclohexyl]ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129332459
4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128991953
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129007338
[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442606
(2R)-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129337844

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129342344) is (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is Cc1cccc(C)c1OCCCN1CCO[C@@H](c2nncn2C)C1.
What is the InChIKey of (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is SWUUJDAHEKIFSQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-6-4-7-15(2)17(14)24-10-5-8-22-9-11-23-16(12-22)18-20-19-13-21(18)3/h4,6-7,13,16H,5,8-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 330.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129342344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).