N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine

C10H14F2N2O — CID 103081298

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCOCC(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-8-2-3-13-10(6-8)14-4-5-15-7-9(11)12/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyWSKNIQKALJOLRK-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine (PubChem CID 103081298) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
PubChem CID103081298
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCOCC(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-8-2-3-13-10(6-8)14-4-5-15-7-9(11)12/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyWSKNIQKALJOLRK-UHFFFAOYSA-N
XLogP2.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 103875647
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
4-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293621
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
CID 103081300
N-[3-(cyclopropylmethoxy)propyl]-4-methylpyridin-2-amine
CID 103761404
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107323471
N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
CID 142941016
N-[2-(2,2-difluoroethoxy)ethyl]aniline
CID 82010381
N-[2-(2,2-difluoroethoxy)ethyl]-4-fluoroaniline
CID 82010260

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine (CID 103081298) is N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine is Cc1ccnc(NCCOCC(F)F)c1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine?
The InChIKey is WSKNIQKALJOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-8-2-3-13-10(6-8)14-4-5-15-7-9(11)12/h2-3,6,9H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine has a molecular weight of 216.23 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 103081298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).