4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine

C16H23N5O3 — CID 162629473

IUPAC4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine
SMILESCOc1cc(C)ccc1OCCN1CCOC(c2nnnn2C)C1
InChIInChI=1S/C16H23N5O3/c1-12-4-5-13(14(10-12)22-3)23-8-6-21-7-9-24-15(11-21)16-17-18-19-20(16)2/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyKARQMJIIJCEFNZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.98
Rot. Bonds6

About 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine

4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine (PubChem CID 162629473) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine
PubChem CID162629473
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine
SMILESCOc1cc(C)ccc1OCCN1CCOC(c2nnnn2C)C1
InChIInChI=1S/C16H23N5O3/c1-12-4-5-13(14(10-12)22-3)23-8-6-21-7-9-24-15(11-21)16-17-18-19-20(16)2/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyKARQMJIIJCEFNZ-UHFFFAOYSA-N
XLogP0.98
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-methoxy-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-(1-methyltetrazol-5-yl)morpholine
CID 170507338
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 129403722
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
CID 47053041
4-(6,7-dimethoxy-4-methylquinolin-2-yl)-2-(1-methyltetrazol-5-yl)morpholine
CID 166614364
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157016662
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871
2-(1-methyltetrazol-5-yl)-4-[(2-phenylpyrazol-3-yl)methyl]morpholine
CID 157015628
2-(1-methyltetrazol-5-yl)-4-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]morpholine
CID 162635741
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
CID 124755660
1-[(2R)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95347452

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine?
The IUPAC name of 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine (CID 162629473) is 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine.
What is the SMILES notation for 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine?
The canonical SMILES for 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine is COc1cc(C)ccc1OCCN1CCOC(c2nnnn2C)C1.
What is the InChIKey of 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine?
The InChIKey is KARQMJIIJCEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-12-4-5-13(14(10-12)22-3)23-8-6-21-7-9-24-15(11-21)16-17-18-19-20(16)2/h4-5,10,15H,6-9,11H2,1-3H3.
What are the key properties of 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine?
4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine has a molecular weight of 333.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(1-methyltetrazol-5-yl)morpholine is sourced from PubChem (CID 162629473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).