N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

C16H20N2O2 — CID 2997335

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCOc1c(CNCc2cccnc2)cccc1OC
InChIInChI=1S/C16H20N2O2/c1-3-20-16-14(7-4-8-15(16)19-2)12-18-11-13-6-5-9-17-10-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyLAGKVIDWLGJHCN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds7

About N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 2997335) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID2997335
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCOc1c(CNCc2cccnc2)cccc1OC
InChIInChI=1S/C16H20N2O2/c1-3-20-16-14(7-4-8-15(16)19-2)12-18-11-13-6-5-9-17-10-13/h4-10,18H,3,11-12H2,1-2H3
InChIKeyLAGKVIDWLGJHCN-UHFFFAOYSA-N
XLogP2.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 1017197
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 90485938
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997010
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66534062
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (CID 2997335) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is CCOc1c(CNCc2cccnc2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is LAGKVIDWLGJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-20-16-14(7-4-8-15(16)19-2)12-18-11-13-6-5-9-17-10-13/h4-10,18H,3,11-12H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 2997335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).