2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol

C14H23NO3 — CID 64803815

IUPAC2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
SMILESCCNC(C)(CO)COCCOc1ccccc1
InChIInChI=1S/C14H23NO3/c1-3-15-14(2,11-16)12-17-9-10-18-13-7-5-4-6-8-13/h4-8,15-16H,3,9-12H2,1-2H3
InChIKeyVBNQNOCACAAOEH-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.44
Rot. Bonds9

About 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol

2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol (PubChem CID 64803815) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
PubChem CID64803815
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol
SMILESCCNC(C)(CO)COCCOc1ccccc1
InChIInChI=1S/C14H23NO3/c1-3-15-14(2,11-16)12-17-9-10-18-13-7-5-4-6-8-13/h4-8,15-16H,3,9-12H2,1-2H3
InChIKeyVBNQNOCACAAOEH-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

2-methyl-4-(2-phenoxyethoxy)-2-(propylamino)butan-1-ol
CID 64803814
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
3-(2-butoxyethoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 64803984
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
3-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 66226660
4-(4-tert-butylphenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64802883
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol (CID 64803815) is 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol is CCNC(C)(CO)COCCOc1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol?
The InChIKey is VBNQNOCACAAOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-15-14(2,11-16)12-17-9-10-18-13-7-5-4-6-8-13/h4-8,15-16H,3,9-12H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol?
2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(2-phenoxyethoxy)propan-1-ol is sourced from PubChem (CID 64803815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).