N,N-diethyl-3,4-dimethoxyaniline

C12H19NO2 — CID 82538204

IUPACN,N-diethyl-3,4-dimethoxyaniline
SMILESCCN(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO2/c1-5-13(6-2)10-7-8-11(14-3)12(9-10)15-4/h7-9H,5-6H2,1-4H3
InChIKeyXUKREMQRQYAKLW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.55
Rot. Bonds5

About N,N-diethyl-3,4-dimethoxyaniline

N,N-diethyl-3,4-dimethoxyaniline (PubChem CID 82538204) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N,N-diethyl-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN,N-diethyl-3,4-dimethoxyaniline
PubChem CID82538204
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN,N-diethyl-3,4-dimethoxyaniline
SMILESCCN(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO2/c1-5-13(6-2)10-7-8-11(14-3)12(9-10)15-4/h7-9H,5-6H2,1-4H3
InChIKeyXUKREMQRQYAKLW-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
CID 82052966
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901
2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
CID 88903555
N-(chloromethyl)-3,4-dimethoxy-N-methylaniline
CID 115262807
3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline
CID 19706281
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
[4-(diethylamino)-2-methoxyanilino]methanesulfonic acid
CID 23471226
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dimethoxyaniline?
The IUPAC name of N,N-diethyl-3,4-dimethoxyaniline (CID 82538204) is N,N-diethyl-3,4-dimethoxyaniline.
What is the SMILES notation for N,N-diethyl-3,4-dimethoxyaniline?
The canonical SMILES for N,N-diethyl-3,4-dimethoxyaniline is CCN(CC)c1ccc(OC)c(OC)c1.
What is the InChIKey of N,N-diethyl-3,4-dimethoxyaniline?
The InChIKey is XUKREMQRQYAKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-13(6-2)10-7-8-11(14-3)12(9-10)15-4/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3,4-dimethoxyaniline?
N,N-diethyl-3,4-dimethoxyaniline has a molecular weight of 209.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-dimethoxyaniline is sourced from PubChem (CID 82538204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).