N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine

C16H20N2O — CID 43505135

IUPACN-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-12-4-5-16(15(10-12)13(2)17-3)19-11-14-6-8-18-9-7-14/h4-10,13,17H,11H2,1-3H3
InChIKeyAMIPVBCWASNIHV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine

N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine (PubChem CID 43505135) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
PubChem CID43505135
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-12-4-5-16(15(10-12)13(2)17-3)19-11-14-6-8-18-9-7-14/h4-10,13,17H,11H2,1-3H3
InChIKeyAMIPVBCWASNIHV-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880374
4-[[4-methyl-2-[1-(methylamino)ethyl]phenoxy]methyl]benzonitrile
CID 60889996
N-methyl-1-[5-methyl-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 60870572
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487231
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine (CID 43505135) is N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine is CNC(C)c1cc(C)ccc1OCc1ccncc1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is AMIPVBCWASNIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-4-5-16(15(10-12)13(2)17-3)19-11-14-6-8-18-9-7-14/h4-10,13,17H,11H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine?
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 43505135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).