5-(diethylaminomethyl)-2-methoxyaniline

C12H20N2O — CID 29272603

IUPAC5-(diethylaminomethyl)-2-methoxyaniline
SMILESCCN(CC)Cc1ccc(OC)c(N)c1
InChIInChI=1S/C12H20N2O/c1-4-14(5-2)9-10-6-7-12(15-3)11(13)8-10/h6-8H,4-5,9,13H2,1-3H3
InChIKeyJZAYHNPCECPREX-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.12
Rot. Bonds5

About 5-(diethylaminomethyl)-2-methoxyaniline

5-(diethylaminomethyl)-2-methoxyaniline (PubChem CID 29272603) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(diethylaminomethyl)-2-methoxyaniline
PubChem CID29272603
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-(diethylaminomethyl)-2-methoxyaniline
SMILESCCN(CC)Cc1ccc(OC)c(N)c1
InChIInChI=1S/C12H20N2O/c1-4-14(5-2)9-10-6-7-12(15-3)11(13)8-10/h6-8H,4-5,9,13H2,1-3H3
InChIKeyJZAYHNPCECPREX-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384589
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
CID 62114410
4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43458882
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
5-[[N-[(3-amino-4-methoxyphenyl)methyl]-4-fluoroanilino]methyl]-2-methoxyaniline
CID 59540456
2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61425653
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-2-methoxyaniline?
The IUPAC name of 5-(diethylaminomethyl)-2-methoxyaniline (CID 29272603) is 5-(diethylaminomethyl)-2-methoxyaniline.
What is the SMILES notation for 5-(diethylaminomethyl)-2-methoxyaniline?
The canonical SMILES for 5-(diethylaminomethyl)-2-methoxyaniline is CCN(CC)Cc1ccc(OC)c(N)c1.
What is the InChIKey of 5-(diethylaminomethyl)-2-methoxyaniline?
The InChIKey is JZAYHNPCECPREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-14(5-2)9-10-6-7-12(15-3)11(13)8-10/h6-8H,4-5,9,13H2,1-3H3.
What are the key properties of 5-(diethylaminomethyl)-2-methoxyaniline?
5-(diethylaminomethyl)-2-methoxyaniline has a molecular weight of 208.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-2-methoxyaniline is sourced from PubChem (CID 29272603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).