N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline

C18H24N2 — CID 62435259

IUPACN-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
SMILESCCNCc1ccc(CN(C)c2ccccc2C)cc1
InChIInChI=1S/C18H24N2/c1-4-19-13-16-9-11-17(12-10-16)14-20(3)18-8-6-5-7-15(18)2/h5-12,19H,4,13-14H2,1-3H3
InChIKeyGPJXOYHIZKLHDP-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.74
Rot. Bonds6

About N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline

N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline (PubChem CID 62435259) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
PubChem CID62435259
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
SMILESCCNCc1ccc(CN(C)c2ccccc2C)cc1
InChIInChI=1S/C18H24N2/c1-4-19-13-16-9-11-17(12-10-16)14-20(3)18-8-6-5-7-15(18)2/h5-12,19H,4,13-14H2,1-3H3
InChIKeyGPJXOYHIZKLHDP-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
CID 105347402
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
CID 105347405
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline
CID 105347406
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline?
The IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline (CID 62435259) is N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline?
The canonical SMILES for N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline is CCNCc1ccc(CN(C)c2ccccc2C)cc1.
What is the InChIKey of N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline?
The InChIKey is GPJXOYHIZKLHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-19-13-16-9-11-17(12-10-16)14-20(3)18-8-6-5-7-15(18)2/h5-12,19H,4,13-14H2,1-3H3.
What are the key properties of N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline?
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline is sourced from PubChem (CID 62435259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).