N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine

C16H20N2O — CID 60892643

IUPACN-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-2-17-13-15-5-3-4-6-16(15)19-12-9-14-7-10-18-11-8-14/h3-8,10-11,17H,2,9,12-13H2,1H3
InChIKeyXSCHCCFGWWAJBZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.81
Rot. Bonds7

About N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine

N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 60892643) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
PubChem CID60892643
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCc1ccncc1
InChIInChI=1S/C16H20N2O/c1-2-17-13-15-5-3-4-6-16(15)19-12-9-14-7-10-18-11-8-14/h3-8,10-11,17H,2,9,12-13H2,1H3
InChIKeyXSCHCCFGWWAJBZ-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine (CID 60892643) is N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine is CCNCc1ccccc1OCCc1ccncc1.
What is the InChIKey of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is XSCHCCFGWWAJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-17-13-15-5-3-4-6-16(15)19-12-9-14-7-10-18-11-8-14/h3-8,10-11,17H,2,9,12-13H2,1H3.
What are the key properties of N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine?
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 60892643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).