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

C16H24BrNO2 — CID 103167216

IUPAC4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO2/c1-2-20-14-6-11(7-14)8-16(19)15(10-18)12-4-3-5-13(17)9-12/h3-5,9,11,14-16,19H,2,6-8,10,18H2,1H3
InChIKeyXRHQIYZCTBGINT-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.06
Rot. Bonds7

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

4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol (PubChem CID 103167216) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
PubChem CID103167216
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO2/c1-2-20-14-6-11(7-14)8-16(19)15(10-18)12-4-3-5-13(17)9-12/h3-5,9,11,14-16,19H,2,6-8,10,18H2,1H3
InChIKeyXRHQIYZCTBGINT-UHFFFAOYSA-N
XLogP3.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)butan-2-ol
CID 103167221
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
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65187919
1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
CID 65188289
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659
[1-(3-bromophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170381
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
The IUPAC name of 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol (CID 103167216) is 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol.
What is the SMILES notation for 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
The canonical SMILES for 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol is CCOC1CC(CC(O)C(CN)c2cccc(Br)c2)C1.
What is the InChIKey of 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
The InChIKey is XRHQIYZCTBGINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-2-20-14-6-11(7-14)8-16(19)15(10-18)12-4-3-5-13(17)9-12/h3-5,9,11,14-16,19H,2,6-8,10,18H2,1H3.
What are the key properties of 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol has a molecular weight of 342.28 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol is sourced from PubChem (CID 103167216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).