N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline

C12H19NO3 — CID 66224043

IUPACN-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)CC(OC)OC)cc1
InChIInChI=1S/C12H19NO3/c1-13(9-12(15-3)16-4)10-5-7-11(14-2)8-6-10/h5-8,12H,9H2,1-4H3
InChIKeyICNJUMIORDYPPY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.75
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline

N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline (PubChem CID 66224043) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
PubChem CID66224043
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)CC(OC)OC)cc1
InChIInChI=1S/C12H19NO3/c1-13(9-12(15-3)16-4)10-5-7-11(14-2)8-6-10/h5-8,12H,9H2,1-4H3
InChIKeyICNJUMIORDYPPY-UHFFFAOYSA-N
XLogP1.75
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,2-dimethoxyethyl)-N-methylaniline
CID 139970905
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554288
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1-N,4-N-bis(2-methoxypropyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 70177218
1-cyclohexyl-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 104745754
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520687
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115596113

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline (CID 66224043) is N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline is COc1ccc(N(C)CC(OC)OC)cc1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline?
The InChIKey is ICNJUMIORDYPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(9-12(15-3)16-4)10-5-7-11(14-2)8-6-10/h5-8,12H,9H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline?
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline has a molecular weight of 225.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline is sourced from PubChem (CID 66224043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).