4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol

C17H21NO2 — CID 82978054

IUPAC4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(C)c2cccc(C)c2)ccc1O
InChIInChI=1S/C17H21NO2/c1-4-20-17-11-14(8-9-16(17)19)12-18(3)15-7-5-6-13(2)10-15/h5-11,19H,4,12H2,1-3H3
InChIKeyPPBAZDPNYJGJCP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.74
Rot. Bonds5

About 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol

4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol (PubChem CID 82978054) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol
PubChem CID82978054
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(C)c2cccc(C)c2)ccc1O
InChIInChI=1S/C17H21NO2/c1-4-20-17-11-14(8-9-16(17)19)12-18(3)15-7-5-6-13(2)10-15/h5-11,19H,4,12H2,1-3H3
InChIKeyPPBAZDPNYJGJCP-UHFFFAOYSA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(N,3-dimethylanilino)methyl]-2-methoxybenzoic acid
CID 65339079
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
CID 82982111
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
CID 105347348
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
CID 82981487
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927

Frequently Asked Questions

What is the IUPAC name of 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol (CID 82978054) is 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol is CCOc1cc(CN(C)c2cccc(C)c2)ccc1O.
What is the InChIKey of 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol?
The InChIKey is PPBAZDPNYJGJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-17-11-14(8-9-16(17)19)12-18(3)15-7-5-6-13(2)10-15/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol?
4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol has a molecular weight of 271.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol is sourced from PubChem (CID 82978054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).