N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline

C18H24N2 — CID 105347349

IUPACN,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
SMILESCNCCc1ccc(CN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-15-5-4-6-18(13-15)20(3)14-17-9-7-16(8-10-17)11-12-19-2/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyWQGPKHWLHSFHEN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.39
Rot. Bonds6

About N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline

N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline (PubChem CID 105347349) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
PubChem CID105347349
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
SMILESCNCCc1ccc(CN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-15-5-4-6-18(13-15)20(3)14-17-9-7-16(8-10-17)11-12-19-2/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyWQGPKHWLHSFHEN-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

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
CID 105347348
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
CID 105347351
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152
ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene
CID 143911748
N,N',2,2-tetramethyl-N-(3-methylphenyl)propane-1,3-diamine
CID 62258877
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline?
The IUPAC name of N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline (CID 105347349) is N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline is CNCCc1ccc(CN(C)c2cccc(C)c2)cc1.
What is the InChIKey of N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline?
The InChIKey is WQGPKHWLHSFHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-5-4-6-18(13-15)20(3)14-17-9-7-16(8-10-17)11-12-19-2/h4-10,13,19H,11-12,14H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline?
N,3-dimethyl-N-[[4-[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,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline is sourced from PubChem (CID 105347349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).