2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine

C13H23F2NO — CID 114224934

IUPAC2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(C(N)CC2CCCC(F)(F)C2)CCC1
InChIInChI=1S/C13H23F2NO/c1-17-12(5-3-6-12)11(16)8-10-4-2-7-13(14,15)9-10/h10-11H,2-9,16H2,1H3
InChIKeyAFJYIDHVJKUNCG-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.10
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine

2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine (PubChem CID 114224934) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
PubChem CID114224934
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(C(N)CC2CCCC(F)(F)C2)CCC1
InChIInChI=1S/C13H23F2NO/c1-17-12(5-3-6-12)11(16)8-10-4-2-7-13(14,15)9-10/h10-11H,2-9,16H2,1H3
InChIKeyAFJYIDHVJKUNCG-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(1-methoxycyclohexyl)ethanamine
CID 116762657
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
1-(1-methoxycyclobutyl)-3-methylbutan-1-amine
CID 116713868
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659
[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
CID 114225995
ethyl 2-amino-3-[(3,3-difluorocyclohexyl)methylsulfanyl]propanoate
CID 114224116

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine (CID 114224934) is 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine is COC1(C(N)CC2CCCC(F)(F)C2)CCC1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine?
The InChIKey is AFJYIDHVJKUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-17-12(5-3-6-12)11(16)8-10-4-2-7-13(14,15)9-10/h10-11H,2-9,16H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine?
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine has a molecular weight of 247.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 114224934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).