N,N-dimethyl-3-[(N-methylanilino)methyl]aniline

C16H20N2 — CID 99811191

IUPACN,N-dimethyl-3-[(N-methylanilino)methyl]aniline
SMILESCN(C)c1cccc(CN(C)c2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-17(2)16-11-7-8-14(12-16)13-18(3)15-9-5-4-6-10-15/h4-12H,13H2,1-3H3
InChIKeyNKZOGSAIAPBWMW-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.39
Rot. Bonds4

About N,N-dimethyl-3-[(N-methylanilino)methyl]aniline

N,N-dimethyl-3-[(N-methylanilino)methyl]aniline (PubChem CID 99811191) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(N-methylanilino)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[(N-methylanilino)methyl]aniline
PubChem CID99811191
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN,N-dimethyl-3-[(N-methylanilino)methyl]aniline
SMILESCN(C)c1cccc(CN(C)c2ccccc2)c1
InChIInChI=1S/C16H20N2/c1-17(2)16-11-7-8-14(12-16)13-18(3)15-9-5-4-6-10-15/h4-12H,13H2,1-3H3
InChIKeyNKZOGSAIAPBWMW-UHFFFAOYSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(dimethylamino)phenyl]methyl-methylamino]benzonitrile
CID 133385857
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
5-benzyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 133451334
3-[(N-methylanilino)methyl]benzenecarbothioamide
CID 24698703
aniline;N-benzyl-N-methylaniline
CID 163577424
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-2-nitroaniline
CID 133385896
4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
[3-(dimethylamino)phenyl]methanethiol
CID 83792343
5-tert-butyl-N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 133385892
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
N-benzyl-N-methyl-4-phenylaniline
CID 23459365

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(N-methylanilino)methyl]aniline?
The IUPAC name of N,N-dimethyl-3-[(N-methylanilino)methyl]aniline (CID 99811191) is N,N-dimethyl-3-[(N-methylanilino)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[(N-methylanilino)methyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[(N-methylanilino)methyl]aniline is CN(C)c1cccc(CN(C)c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-[(N-methylanilino)methyl]aniline?
The InChIKey is NKZOGSAIAPBWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-17(2)16-11-7-8-14(12-16)13-18(3)15-9-5-4-6-10-15/h4-12H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(N-methylanilino)methyl]aniline?
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(N-methylanilino)methyl]aniline is sourced from PubChem (CID 99811191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).