N-[(2,3-diethoxyphenyl)methyl]ethanamine

C13H21NO2 — CID 43278924

IUPACN-[(2,3-diethoxyphenyl)methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCC
InChIInChI=1S/C13H21NO2/c1-4-14-10-11-8-7-9-12(15-5-2)13(11)16-6-3/h7-9,14H,4-6,10H2,1-3H3
InChIKeyXFKXBUHJYMVCQK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds7

About N-[(2,3-diethoxyphenyl)methyl]ethanamine

N-[(2,3-diethoxyphenyl)methyl]ethanamine (PubChem CID 43278924) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2,3-diethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-diethoxyphenyl)methyl]ethanamine
PubChem CID43278924
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2,3-diethoxyphenyl)methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCC
InChIInChI=1S/C13H21NO2/c1-4-14-10-11-8-7-9-12(15-5-2)13(11)16-6-3/h7-9,14H,4-6,10H2,1-3H3
InChIKeyXFKXBUHJYMVCQK-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960
N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006070
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 60882838
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-diethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-diethoxyphenyl)methyl]ethanamine (CID 43278924) is N-[(2,3-diethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-diethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-diethoxyphenyl)methyl]ethanamine is CCNCc1cccc(OCC)c1OCC.
What is the InChIKey of N-[(2,3-diethoxyphenyl)methyl]ethanamine?
The InChIKey is XFKXBUHJYMVCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14-10-11-8-7-9-12(15-5-2)13(11)16-6-3/h7-9,14H,4-6,10H2,1-3H3.
What are the key properties of N-[(2,3-diethoxyphenyl)methyl]ethanamine?
N-[(2,3-diethoxyphenyl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-diethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43278924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).