N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline

C17H22N2 — CID 62434976

IUPACN,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
SMILESCNCc1ccccc1CN(C)c1cccc(C)c1
InChIInChI=1S/C17H22N2/c1-14-7-6-10-17(11-14)19(3)13-16-9-5-4-8-15(16)12-18-2/h4-11,18H,12-13H2,1-3H3
InChIKeyCPFBWPQGDGJVJQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.35
Rot. Bonds5

About N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline

N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline (PubChem CID 62434976) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
PubChem CID62434976
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
SMILESCNCc1ccccc1CN(C)c1cccc(C)c1
InChIInChI=1S/C17H22N2/c1-14-7-6-10-17(11-14)19(3)13-16-9-5-4-8-15(16)12-18-2/h4-11,18H,12-13H2,1-3H3
InChIKeyCPFBWPQGDGJVJQ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
2-[(N,3-dimethylanilino)methyl]benzohydrazide
CID 63585084
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62135377
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
3-[(N,3-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116550
N,N',2,2-tetramethyl-N-(3-methylphenyl)propane-1,3-diamine
CID 62258877
3-bromo-4-[(N,3-dimethylanilino)methyl]aniline
CID 62003155
N,3-dimethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62435152

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline?
The IUPAC name of N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline (CID 62434976) is N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline is CNCc1ccccc1CN(C)c1cccc(C)c1.
What is the InChIKey of N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline?
The InChIKey is CPFBWPQGDGJVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-7-6-10-17(11-14)19(3)13-16-9-5-4-8-15(16)12-18-2/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline?
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline is sourced from PubChem (CID 62434976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).