N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine

C11H16F2N2O — CID 115922574

IUPACN-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine
SMILESCCC(C)Nc1cccnc1OCC(F)F
InChIInChI=1S/C11H16F2N2O/c1-3-8(2)15-9-5-4-6-14-11(9)16-7-10(12)13/h4-6,8,10,15H,3,7H2,1-2H3
InChIKeyOQDNIUYEJKCGME-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.94
Rot. Bonds6

About N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine

N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine (PubChem CID 115922574) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine
PubChem CID115922574
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC NameN-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine
SMILESCCC(C)Nc1cccnc1OCC(F)F
InChIInChI=1S/C11H16F2N2O/c1-3-8(2)15-9-5-4-6-14-11(9)16-7-10(12)13/h4-6,8,10,15H,3,7H2,1-2H3
InChIKeyOQDNIUYEJKCGME-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
2-N-(2-ethoxy-3-pyridinyl)propane-1,2-diamine
CID 103388376
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]pyridin-3-amine
CID 92977511
2-ethoxy-N-(3-methoxybutan-2-yl)pyridin-3-amine
CID 115922159
2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
CID 103388537
2-methoxy-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 43721890
2-methoxy-N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43721830
2-ethoxy-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43706285
2-methoxy-N-(1-phenylpropan-2-yl)pyridin-3-amine
CID 55148980
2-[(2-ethoxy-3-pyridinyl)amino]propanoic acid
CID 66173717
N-propan-2-yl-2-(trifluoromethoxy)pyridin-3-amine
CID 139373371
N-butan-2-yl-1,6-naphthyridin-8-amine
CID 91953467

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine?
The IUPAC name of N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine (CID 115922574) is N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine is CCC(C)Nc1cccnc1OCC(F)F.
What is the InChIKey of N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine?
The InChIKey is OQDNIUYEJKCGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-8(2)15-9-5-4-6-14-11(9)16-7-10(12)13/h4-6,8,10,15H,3,7H2,1-2H3.
What are the key properties of N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine?
N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine has a molecular weight of 230.26 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,2-difluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 115922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).