N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine

C13H21NO2 — CID 4658188

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(OC)c1OC
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)10-11-8-7-9-12(15-3)13(11)16-4/h7-9H,5-6,10H2,1-4H3
InChIKeyNEZXDVLMYWZMIG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.55
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine

N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine (PubChem CID 4658188) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
PubChem CID4658188
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1cccc(OC)c1OC
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)10-11-8-7-9-12(15-3)13(11)16-4/h7-9H,5-6,10H2,1-4H3
InChIKeyNEZXDVLMYWZMIG-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128
N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutan-1-amine
CID 2845586
N-benzyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 783447
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 46007027
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93161575
1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol
CID 46007066
(2S)-1-[(2,3-dimethoxyphenyl)methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 93161613
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161532
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713651
1-[(2,3-dimethoxyphenyl)methyl-propylamino]-3-prop-2-ynoxypropan-2-ol
CID 24713170
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine (CID 4658188) is N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine is CCN(CC)Cc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine?
The InChIKey is NEZXDVLMYWZMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14(6-2)10-11-8-7-9-12(15-3)13(11)16-4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine?
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 4658188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).