N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline

C18H24N2 — CID 115463927

IUPACN,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline
SMILESCNCCc1ccccc1CN(C)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-15-8-4-7-11-18(15)20(3)14-17-10-6-5-9-16(17)12-13-19-2/h4-11,19H,12-14H2,1-3H3
InChIKeyNVKGSTMGGAXNAA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.39
Rot. Bonds6

About N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline

N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline (PubChem CID 115463927) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline
PubChem CID115463927
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline
SMILESCNCCc1ccccc1CN(C)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-15-8-4-7-11-18(15)20(3)14-17-10-6-5-9-16(17)12-13-19-2/h4-11,19H,12-14H2,1-3H3
InChIKeyNVKGSTMGGAXNAA-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
N-methyl-2-(2-methylphenyl)ethanamine;toluene
CID 142152670
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
CID 105347402
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
3-[(N,2-dimethylanilino)methyl]-2-fluorobenzonitrile
CID 107114943
N-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 115463785
N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464235
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212159
N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 113314749
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline?
The IUPAC name of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline (CID 115463927) is N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline?
The canonical SMILES for N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline is CNCCc1ccccc1CN(C)c1ccccc1C.
What is the InChIKey of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline?
The InChIKey is NVKGSTMGGAXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-8-4-7-11-18(15)20(3)14-17-10-6-5-9-16(17)12-13-19-2/h4-11,19H,12-14H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline?
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline is sourced from PubChem (CID 115463927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).