N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine

C17H22N2O — CID 102880495

IUPACN-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cncc(C)c2)cc1
InChIInChI=1S/C17H22N2O/c1-13-8-16(11-19-10-13)12-20-17-6-4-15(5-7-17)9-14(2)18-3/h4-8,10-11,14,18H,9,12H2,1-3H3
InChIKeyXBAMHHDLVBWXCX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine

N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine (PubChem CID 102880495) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
PubChem CID102880495
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCc2cncc(C)c2)cc1
InChIInChI=1S/C17H22N2O/c1-13-8-16(11-19-10-13)12-20-17-6-4-15(5-7-17)9-14(2)18-3/h4-8,10-11,14,18H,9,12H2,1-3H3
InChIKeyXBAMHHDLVBWXCX-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469
(1R)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718139
(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705
1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107715801
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine (CID 102880495) is N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine is CNC(C)Cc1ccc(OCc2cncc(C)c2)cc1.
What is the InChIKey of N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
The InChIKey is XBAMHHDLVBWXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-8-16(11-19-10-13)12-20-17-6-4-15(5-7-17)9-14(2)18-3/h4-8,10-11,14,18H,9,12H2,1-3H3.
What are the key properties of N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine?
N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 102880495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).