4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline

C17H22N2O2 — CID 105188768

IUPAC4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1cccc(OC)c1C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-19(2)13-10-8-12(9-11-13)17(18)16-14(20-3)6-5-7-15(16)21-4/h5-11,17H,18H2,1-4H3
InChIKeyQIRRYUYNXCRVPN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.82
Rot. Bonds5

About 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline

4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline (PubChem CID 105188768) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline
PubChem CID105188768
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1cccc(OC)c1C(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-19(2)13-10-8-12(9-11-13)17(18)16-14(20-3)6-5-7-15(16)21-4/h5-11,17H,18H2,1-4H3
InChIKeyQIRRYUYNXCRVPN-UHFFFAOYSA-N
XLogP2.82
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 116809671
(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 105051973
[4-(dimethylamino)phenyl]-(2-fluoro-3-methoxyphenyl)methanol
CID 82805394
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methoxyphenol
CID 171251792
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
CID 173360474
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301943

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline (CID 105188768) is 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline is COc1cccc(OC)c1C(N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is QIRRYUYNXCRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(2)13-10-8-12(9-11-13)17(18)16-14(20-3)6-5-7-15(16)21-4/h5-11,17H,18H2,1-4H3.
What are the key properties of 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline?
4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 286.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105188768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).