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

C22H24N2 — CID 3313778

IUPAC4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
SMILESCc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H24N2/c1-17-3-11-21(12-4-17)23-15-19-7-9-20(10-8-19)16-24-22-13-5-18(2)6-14-22/h3-14,23-24H,15-16H2,1-2H3
InChIKeyVLEDCMKRDIDZMJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.53
Rot. Bonds6

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

4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline (PubChem CID 3313778) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
PubChem CID3313778
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
SMILESCc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H24N2/c1-17-3-11-21(12-4-17)23-15-19-7-9-20(10-8-19)16-24-22-13-5-18(2)6-14-22/h3-14,23-24H,15-16H2,1-2H3
InChIKeyVLEDCMKRDIDZMJ-UHFFFAOYSA-N
XLogP5.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
CID 155819299
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
CID 157155590
3-iodo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43230338
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065
2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid
CID 103234862

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline?
The IUPAC name of 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline (CID 3313778) is 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline is Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline?
The InChIKey is VLEDCMKRDIDZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-17-3-11-21(12-4-17)23-15-19-7-9-20(10-8-19)16-24-22-13-5-18(2)6-14-22/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline?
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline has a molecular weight of 316.45 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 3313778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).