N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine

C12H16ClF3N2O — CID 66275955

IUPACN-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OC(C)C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H16ClF3N2O/c1-7(2)17-6-10-9(13)4-5-11(18-10)19-8(3)12(14,15)16/h4-5,7-8,17H,6H2,1-3H3
InChIKeyMPCHQXXBARFKNA-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.56
Rot. Bonds5

About N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine

N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 66275955) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID66275955
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC NameN-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OC(C)C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H16ClF3N2O/c1-7(2)17-6-10-9(13)4-5-11(18-10)19-8(3)12(14,15)16/h4-5,7-8,17H,6H2,1-3H3
InChIKeyMPCHQXXBARFKNA-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
2-Methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
CID 22499431
1-(6-Ethoxypyridin-2-yl)methanamine
CID 62290283
1-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperazine
CID 172434533
3-Chloro-6-(propan-2-yloxy)pyridine-2-carbonitrile
CID 47002195
(6-(Propan-2-yloxy)pyridin-2-yl)methanamine
CID 62290163
2,2,2-Trifluoro-1-(6-methoxypyridin-2-yl)ethan-1-amine hydrochloride
CID 145915595
1-[6-(2,2-Difluoroethoxy)pyridin-2-yl]methanamine hydrochloride
CID 165456784
(6-(2,2-Difluoroethoxy)pyridin-2-yl)methanamine
CID 71757854
(1S)-N-[(6-ethoxy-2-pyridinyl)methyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanamine
CID 164634363

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine (CID 66275955) is N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1nc(OC(C)C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is MPCHQXXBARFKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-7(2)17-6-10-9(13)4-5-11(18-10)19-8(3)12(14,15)16/h4-5,7-8,17H,6H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 296.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 66275955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).