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

C16H24ClNO2 — CID 103167179

IUPAC4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNO2/c1-2-20-12-7-11(8-12)9-16(19)14(10-18)13-5-3-4-6-15(13)17/h3-6,11-12,14,16,19H,2,7-10,18H2,1H3
InChIKeyJKJQSGYYIGNCMY-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.95
Rot. Bonds7

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

4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol (PubChem CID 103167179) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
PubChem CID103167179
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
SMILESCCOC1CC(CC(O)C(CN)c2ccccc2Cl)C1
InChIInChI=1S/C16H24ClNO2/c1-2-20-12-7-11(8-12)9-16(19)14(10-18)13-5-3-4-6-15(13)17/h3-6,11-12,14,16,19H,2,7-10,18H2,1H3
InChIKeyJKJQSGYYIGNCMY-UHFFFAOYSA-N
XLogP2.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-ethoxycyclobutyl)-3-(2-methoxyphenyl)butan-2-ol
CID 103167202
4-amino-3-(4-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167190
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-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
[1-(2,3-dichlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170505
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
1-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]naphthalene
CID 103165911
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
The IUPAC name of 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol (CID 103167179) is 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol.
What is the SMILES notation for 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
The canonical SMILES for 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol is CCOC1CC(CC(O)C(CN)c2ccccc2Cl)C1.
What is the InChIKey of 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
The InChIKey is JKJQSGYYIGNCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-20-12-7-11(8-12)9-16(19)14(10-18)13-5-3-4-6-15(13)17/h3-6,11-12,14,16,19H,2,7-10,18H2,1H3.
What are the key properties of 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol?
4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol is sourced from PubChem (CID 103167179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).