N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine

C11H14F2N2O — CID 79158454

IUPACN-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(OC(F)F)c(CNC2CC2)n1
InChIInChI=1S/C11H14F2N2O/c1-7-2-5-10(16-11(12)13)9(15-7)6-14-8-3-4-8/h2,5,8,11,14H,3-4,6H2,1H3
InChIKeyICPVVDYHALEWJM-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.24
Rot. Bonds5

About N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine

N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79158454) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79158454
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(OC(F)F)c(CNC2CC2)n1
InChIInChI=1S/C11H14F2N2O/c1-7-2-5-10(16-11(12)13)9(15-7)6-14-8-3-4-8/h2,5,8,11,14H,3-4,6H2,1H3
InChIKeyICPVVDYHALEWJM-UHFFFAOYSA-N
XLogP2.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79151015
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79158985
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79158106
6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
CID 107702712
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671
N-[[6-methyl-3-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79158297
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158289
N-[(3-cyclohex-2-en-1-yloxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 114619858
propan-2-yl 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]acetate
CID 79157755
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine (CID 79158454) is N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(OC(F)F)c(CNC2CC2)n1.
What is the InChIKey of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ICPVVDYHALEWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7-2-5-10(16-11(12)13)9(15-7)6-14-8-3-4-8/h2,5,8,11,14H,3-4,6H2,1H3.
What are the key properties of N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 228.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79158454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).