2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine

C13H25F2NO — CID 114223589

IUPAC2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OCC1CCCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-3-12(4-2,10-16)17-9-11-6-5-7-13(14,15)8-11/h11H,3-10,16H2,1-2H3
InChIKeyNMMARAXFCUJHCV-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.35
Rot. Bonds6

About 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine

2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine (PubChem CID 114223589) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine
PubChem CID114223589
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OCC1CCCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-3-12(4-2,10-16)17-9-11-6-5-7-13(14,15)8-11/h11H,3-10,16H2,1-2H3
InChIKeyNMMARAXFCUJHCV-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)butan-1-amine
CID 102896081
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 114223672
4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 114225527
2-(aminomethyl)-2-[(3,3-difluorocyclohexyl)methyl]-3-methylbutanoic acid
CID 114226085
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
O-[(3,3-difluorocyclopentyl)methyl]hydroxylamine
CID 126974531
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 56980867

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine?
The IUPAC name of 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine (CID 114223589) is 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine is CCC(CC)(CN)OCC1CCCC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine?
The InChIKey is NMMARAXFCUJHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-3-12(4-2,10-16)17-9-11-6-5-7-13(14,15)8-11/h11H,3-10,16H2,1-2H3.
What are the key properties of 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine?
2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine has a molecular weight of 249.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclohexyl)methoxy]-2-ethylbutan-1-amine is sourced from PubChem (CID 114223589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).