2-(2-aminoethoxymethyl)-6-methoxyaniline

C10H16N2O2 — CID 155114674

IUPAC2-(2-aminoethoxymethyl)-6-methoxyaniline
SMILESCOc1cccc(COCCN)c1N
InChIInChI=1S/C10H16N2O2/c1-13-9-4-2-3-8(10(9)12)7-14-6-5-11/h2-4H,5-7,11-12H2,1H3
InChIKeyAMCGHKHJTRULKG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.75
Rot. Bonds5

About 2-(2-aminoethoxymethyl)-6-methoxyaniline

2-(2-aminoethoxymethyl)-6-methoxyaniline (PubChem CID 155114674) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-aminoethoxymethyl)-6-methoxyaniline.

Molecular Properties

Compound Name2-(2-aminoethoxymethyl)-6-methoxyaniline
PubChem CID155114674
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2-aminoethoxymethyl)-6-methoxyaniline
SMILESCOc1cccc(COCCN)c1N
InChIInChI=1S/C10H16N2O2/c1-13-9-4-2-3-8(10(9)12)7-14-6-5-11/h2-4H,5-7,11-12H2,1H3
InChIKeyAMCGHKHJTRULKG-UHFFFAOYSA-N
XLogP0.75
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxyaniline;ethane
CID 145233133
2-[(2,3-difluorophenyl)methoxy]ethanamine
CID 62343610
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 58027581
2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline
CID 105471285
1-methoxy-2-(3-methylbutoxymethyl)benzene
CID 91710990
3-[(2-methoxyphenyl)methoxy]-1-phenylpropan-1-amine
CID 57274569
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxymethyl)-6-methoxyaniline?
The IUPAC name of 2-(2-aminoethoxymethyl)-6-methoxyaniline (CID 155114674) is 2-(2-aminoethoxymethyl)-6-methoxyaniline.
What is the SMILES notation for 2-(2-aminoethoxymethyl)-6-methoxyaniline?
The canonical SMILES for 2-(2-aminoethoxymethyl)-6-methoxyaniline is COc1cccc(COCCN)c1N.
What is the InChIKey of 2-(2-aminoethoxymethyl)-6-methoxyaniline?
The InChIKey is AMCGHKHJTRULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-13-9-4-2-3-8(10(9)12)7-14-6-5-11/h2-4H,5-7,11-12H2,1H3.
What are the key properties of 2-(2-aminoethoxymethyl)-6-methoxyaniline?
2-(2-aminoethoxymethyl)-6-methoxyaniline has a molecular weight of 196.25 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxymethyl)-6-methoxyaniline is sourced from PubChem (CID 155114674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).