3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline

C18H24N2O — CID 43720831

IUPAC3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1cccc(OCCN(C)C)c1
InChIInChI=1S/C18H24N2O/c1-15-7-4-5-8-16(15)14-19-17-9-6-10-18(13-17)21-12-11-20(2)3/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyPIXZFJDTUMFOCU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.55
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline

3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline (PubChem CID 43720831) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
PubChem CID43720831
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CNc1cccc(OCCN(C)C)c1
InChIInChI=1S/C18H24N2O/c1-15-7-4-5-8-16(15)14-19-17-9-6-10-18(13-17)21-12-11-20(2)3/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyPIXZFJDTUMFOCU-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
4-[3-[(2-methylphenyl)methylamino]phenoxy]butanenitrile
CID 60943112
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328048
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline (CID 43720831) is 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline is Cc1ccccc1CNc1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is PIXZFJDTUMFOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15-7-4-5-8-16(15)14-19-17-9-6-10-18(13-17)21-12-11-20(2)3/h4-10,13,19H,11-12,14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline?
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 43720831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).