2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol

C14H23NO3 — CID 116695460

IUPAC2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
SMILESCCOCCOCCC(N)(CO)c1ccccc1
InChIInChI=1S/C14H23NO3/c1-2-17-10-11-18-9-8-14(15,12-16)13-6-4-3-5-7-13/h3-7,16H,2,8-12,15H2,1H3
InChIKeyCYAIMTXYKNYOBY-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.28
Rot. Bonds9

About 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol

2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol (PubChem CID 116695460) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
PubChem CID116695460
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
SMILESCCOCCOCCC(N)(CO)c1ccccc1
InChIInChI=1S/C14H23NO3/c1-2-17-10-11-18-9-8-14(15,12-16)13-6-4-3-5-7-13/h3-7,16H,2,8-12,15H2,1H3
InChIKeyCYAIMTXYKNYOBY-UHFFFAOYSA-N
XLogP1.28
TPSA64.71 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 ≤ 51.28
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-amino-2-phenylpentan-1-ol
CID 61056433
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol
CID 116695402
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
CID 116695232
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
2-amino-4-(2-methylcyclohexyl)oxy-2-phenylbutan-1-ol
CID 116695464
ethoxyethane;triphenylmethanol
CID 70428584
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol (CID 116695460) is 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol is CCOCCOCCC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol?
The InChIKey is CYAIMTXYKNYOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-17-10-11-18-9-8-14(15,12-16)13-6-4-3-5-7-13/h3-7,16H,2,8-12,15H2,1H3.
What are the key properties of 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol?
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).