N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine

C16H20N2O2 — CID 43181021

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCOc1cc(CNC(C)c2ccncc2)cc(OC)c1
InChIInChI=1S/C16H20N2O2/c1-12(14-4-6-17-7-5-14)18-11-13-8-15(19-2)10-16(9-13)20-3/h4-10,12,18H,11H2,1-3H3
InChIKeyAFWBXZRUVASPRI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine

N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 43181021) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID43181021
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCOc1cc(CNC(C)c2ccncc2)cc(OC)c1
InChIInChI=1S/C16H20N2O2/c1-12(14-4-6-17-7-5-14)18-11-13-8-15(19-2)10-16(9-13)20-3/h4-10,12,18H,11H2,1-3H3
InChIKeyAFWBXZRUVASPRI-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623582
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202313
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 43078961
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
CID 95586358
(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104527
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine (CID 43181021) is N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine is COc1cc(CNC(C)c2ccncc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is AFWBXZRUVASPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(14-4-6-17-7-5-14)18-11-13-8-15(19-2)10-16(9-13)20-3/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine?
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 43181021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).