N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine

C12H14ClF3N2O — CID 66275528

IUPACN-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(Oc1ncc(CNC2CC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(12(14,15)16)19-11-10(13)4-8(6-18-11)5-17-9-2-3-9/h4,6-7,9,17H,2-3,5H2,1H3
InChIKeyBPWDSGGBPJXNHJ-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.32
Rot. Bonds5

About N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 66275528) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID66275528
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC NameN-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(Oc1ncc(CNC2CC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(12(14,15)16)19-11-10(13)4-8(6-18-11)5-17-9-2-3-9/h4,6-7,9,17H,2-3,5H2,1H3
InChIKeyBPWDSGGBPJXNHJ-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 82007113
N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114217177
N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62295657
3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63487574
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
5-chloro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridin-3-ol
CID 58042457
5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 103583728
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
3-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82953039
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467741
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine (CID 66275528) is N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine is CC(Oc1ncc(CNC2CC2)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is BPWDSGGBPJXNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(12(14,15)16)19-11-10(13)4-8(6-18-11)5-17-9-2-3-9/h4,6-7,9,17H,2-3,5H2,1H3.
What are the key properties of N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 294.70 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 66275528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).