3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline

C18H24N2 — CID 105092548

IUPAC3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCCNC(c1ccc(C)cc1)c1cccc(N(C)C)c1
InChIInChI=1S/C18H24N2/c1-5-19-18(15-11-9-14(2)10-12-15)16-7-6-8-17(13-16)20(3)4/h6-13,18-19H,5H2,1-4H3
InChIKeyGMPGRMLQZIHLSB-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.76
Rot. Bonds5

About 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline

3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 105092548) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline
PubChem CID105092548
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCCNC(c1ccc(C)cc1)c1cccc(N(C)C)c1
InChIInChI=1S/C18H24N2/c1-5-19-18(15-11-9-14(2)10-12-15)16-7-6-8-17(13-16)20(3)4/h6-13,18-19H,5H2,1-4H3
InChIKeyGMPGRMLQZIHLSB-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
3-[ethylamino-(2-methoxyphenyl)methyl]-N,N-dimethylaniline
CID 105093677
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149849
3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline
CID 102649394
3-[hydrazinyl(phenyl)methyl]-N,N-dimethylaniline
CID 105282900
3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
3-[(4-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105284037

Frequently Asked Questions

What is the IUPAC name of 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline (CID 105092548) is 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline is CCNC(c1ccc(C)cc1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is GMPGRMLQZIHLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-19-18(15-11-9-14(2)10-12-15)16-7-6-8-17(13-16)20(3)4/h6-13,18-19H,5H2,1-4H3.
What are the key properties of 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline?
3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105092548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).