2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline

C14H24N2O3 — CID 83007835

IUPAC2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OCC(C)(C)N(C)C)cc1OC
InChIInChI=1S/C14H24N2O3/c1-14(2,16(3)4)9-19-11-8-13(18-6)12(17-5)7-10(11)15/h7-8H,9,15H2,1-6H3
InChIKeyWKCOEHQHXDZZNS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.01
Rot. Bonds6

About 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline

2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline (PubChem CID 83007835) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline
PubChem CID83007835
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OCC(C)(C)N(C)C)cc1OC
InChIInChI=1S/C14H24N2O3/c1-14(2,16(3)4)9-19-11-8-13(18-6)12(17-5)7-10(11)15/h7-8H,9,15H2,1-6H3
InChIKeyWKCOEHQHXDZZNS-UHFFFAOYSA-N
XLogP2.01
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 115469310
4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79680114
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxy]aniline
CID 83008446
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
3-(difluoromethyl)-4-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 79679193
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
1-[2-(aminomethyl)-5-methylphenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680205
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
4,5-dimethoxy-2-N,2-N-dimethylbenzene-1,2-diamine
CID 68606067
4-amino-2-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79679565
4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
CID 80738859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline (CID 83007835) is 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline is COc1cc(N)c(OCC(C)(C)N(C)C)cc1OC.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline?
The InChIKey is WKCOEHQHXDZZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,16(3)4)9-19-11-8-13(18-6)12(17-5)7-10(11)15/h7-8H,9,15H2,1-6H3.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline?
2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline has a molecular weight of 268.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropoxy]-4,5-dimethoxyaniline is sourced from PubChem (CID 83007835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).