N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline

C22H24N2 — CID 14847939

IUPACN-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline
SMILESCN(Cc1ccc(CN(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H24N2/c1-23(21-9-5-3-6-10-21)17-19-13-15-20(16-14-19)18-24(2)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3
InChIKeyVPCPAFURUMVILF-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.96
Rot. Bonds6

About N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline

N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline (PubChem CID 14847939) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline
PubChem CID14847939
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline
SMILESCN(Cc1ccc(CN(C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H24N2/c1-23(21-9-5-3-6-10-21)17-19-13-15-20(16-14-19)18-24(2)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3
InChIKeyVPCPAFURUMVILF-UHFFFAOYSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline?
The IUPAC name of N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline (CID 14847939) is N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline is CN(Cc1ccc(CN(C)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline?
The InChIKey is VPCPAFURUMVILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-23(21-9-5-3-6-10-21)17-19-13-15-20(16-14-19)18-24(2)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3.
What are the key properties of N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline?
N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline has a molecular weight of 316.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[(N-methylanilino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 14847939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).