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

C17H27NO2 — CID 103167221

IUPAC4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO2/c1-3-20-15-8-13(9-15)10-17(19)16(11-18)14-6-4-5-12(2)7-14/h4-7,13,15-17,19H,3,8-11,18H2,1-2H3
InChIKeyGMAFZDDCMKYMMY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.60
Rot. Bonds7

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

4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol (PubChem CID 103167221) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol
PubChem CID103167221
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2cccc(C)c2)C1
InChIInChI=1S/C17H27NO2/c1-3-20-15-8-13(9-15)10-17(19)16(11-18)14-6-4-5-12(2)7-14/h4-7,13,15-17,19H,3,8-11,18H2,1-2H3
InChIKeyGMAFZDDCMKYMMY-UHFFFAOYSA-N
XLogP2.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167216
4-amino-3-(4-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167190
4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167179
4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol
CID 103167202
4-amino-3-(3-methylphenyl)butan-2-ol
CID 65187843
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
[1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 103170383
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
4-amino-1-cyclopropyl-3-(3-fluorophenyl)butan-2-ol
CID 65190596
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
CID 103170186
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol (CID 103167221) is 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol is CCOC1CC(CC(O)C(CN)c2cccc(C)c2)C1.
What is the InChIKey of 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol?
The InChIKey is GMAFZDDCMKYMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-20-15-8-13(9-15)10-17(19)16(11-18)14-6-4-5-12(2)7-14/h4-7,13,15-17,19H,3,8-11,18H2,1-2H3.
What are the key properties of 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol?
4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 103167221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).