4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol

C17H29NO2 — CID 116695556

IUPAC4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)10-12-20-13-11-17(14-19,18-4)15-8-6-5-7-9-15/h5-9,18-19H,10-14H2,1-4H3
InChIKeySFEOKFKMIQDRCI-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.94
Rot. Bonds8

About 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol

4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 116695556) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
PubChem CID116695556
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCOCCC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-16(2,3)10-12-20-13-11-17(14-19,18-4)15-8-6-5-7-9-15/h5-9,18-19H,10-14H2,1-4H3
InChIKeySFEOKFKMIQDRCI-UHFFFAOYSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
3-(3,3-dimethylbutoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 66227107
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
3-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylpropanoic acid
CID 66224522
2-(methylamino)-4-(oxan-2-ylmethoxy)-2-phenylbutan-1-ol
CID 116695480
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol (CID 116695556) is 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol is CNC(CO)(CCOCCC(C)(C)C)c1ccccc1.
What is the InChIKey of 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is SFEOKFKMIQDRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)10-12-20-13-11-17(14-19,18-4)15-8-6-5-7-9-15/h5-9,18-19H,10-14H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol?
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).