4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol

C17H27NO3 — CID 103167202

IUPAC4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2ccccc2OC)C1
InChIInChI=1S/C17H27NO3/c1-3-21-13-8-12(9-13)10-16(19)15(11-18)14-6-4-5-7-17(14)20-2/h4-7,12-13,15-16,19H,3,8-11,18H2,1-2H3
InChIKeyPNGYTHSAFPDSMW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.30
Rot. Bonds8

About 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol

4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol (PubChem CID 103167202) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol
PubChem CID103167202
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2ccccc2OC)C1
InChIInChI=1S/C17H27NO3/c1-3-21-13-8-12(9-13)10-16(19)15(11-18)14-6-4-5-7-17(14)20-2/h4-7,12-13,15-16,19H,3,8-11,18H2,1-2H3
InChIKeyPNGYTHSAFPDSMW-UHFFFAOYSA-N
XLogP2.30
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167179
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
4-amino-3-(4-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167190
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol
CID 103167221
4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167216
1-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]naphthalene
CID 103165911
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
3-amino-1-cyclopentyl-2-(2-methoxyphenyl)propan-1-ol
CID 65190124
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol (CID 103167202) is 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol is CCOC1CC(CC(O)C(CN)c2ccccc2OC)C1.
What is the InChIKey of 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol?
The InChIKey is PNGYTHSAFPDSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-21-13-8-12(9-13)10-16(19)15(11-18)14-6-4-5-7-17(14)20-2/h4-7,12-13,15-16,19H,3,8-11,18H2,1-2H3.
What are the key properties of 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol?
4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 103167202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).