4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol

C14H23NO3 — CID 116695482

IUPAC4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCCOC)c1ccccc1
InChIInChI=1S/C14H23NO3/c1-15-14(12-16,8-9-18-11-10-17-2)13-6-4-3-5-7-13/h3-7,15-16H,8-12H2,1-2H3
InChIKeyAOJNRAXFQLAQRW-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.15
Rot. Bonds9

About 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol

4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 116695482) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
PubChem CID116695482
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCCOC)c1ccccc1
InChIInChI=1S/C14H23NO3/c1-15-14(12-16,8-9-18-11-10-17-2)13-6-4-3-5-7-13/h3-7,15-16H,8-12H2,1-2H3
InChIKeyAOJNRAXFQLAQRW-UHFFFAOYSA-N
XLogP1.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
3-[1-methoxypropan-2-yl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64826513
[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]benzene
CID 79447335

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol (CID 116695482) is 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol is CNC(CO)(CCOCCOC)c1ccccc1.
What is the InChIKey of 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is AOJNRAXFQLAQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15-14(12-16,8-9-18-11-10-17-2)13-6-4-3-5-7-13/h3-7,15-16H,8-12H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol?
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).