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

C16H20N2 — CID 115212159

IUPACN,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
SMILESCNc1cccc(CN(C)c2ccccc2C)c1
InChIInChI=1S/C16H20N2/c1-13-7-4-5-10-16(13)18(3)12-14-8-6-9-15(11-14)17-2/h4-11,17H,12H2,1-3H3
InChIKeyJDUZTAUUCZKOIK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.67
Rot. Bonds4

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

N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline (PubChem CID 115212159) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
PubChem CID115212159
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline
SMILESCNc1cccc(CN(C)c2ccccc2C)c1
InChIInChI=1S/C16H20N2/c1-13-7-4-5-10-16(13)18(3)12-14-8-6-9-15(11-14)17-2/h4-11,17H,12H2,1-3H3
InChIKeyJDUZTAUUCZKOIK-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
N-methyl-N-[[3-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212150
N-[3-[(2-methyl-N-propan-2-ylanilino)methyl]phenyl]acetamide
CID 86893492
3-[3-[(N,2-dimethylanilino)methyl]phenyl]prop-2-enoic acid
CID 76931011
N-methyl-3-[(2,4,5-trimethylphenyl)methyl]aniline
CID 116925902
3-(bromomethyl)-N-methylaniline
CID 147410245
3-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212239
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116925863
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
3-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212240
3-(methoxymethyl)-N-methylaniline
CID 23080905

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
The IUPAC name of N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline (CID 115212159) is N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
The canonical SMILES for N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline is CNc1cccc(CN(C)c2ccccc2C)c1.
What is the InChIKey of N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
The InChIKey is JDUZTAUUCZKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-7-4-5-10-16(13)18(3)12-14-8-6-9-15(11-14)17-2/h4-11,17H,12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline?
N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[3-(methylamino)phenyl]methyl]aniline is sourced from PubChem (CID 115212159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).