3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline

C17H20N2 — CID 143961158

IUPAC3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESC/C=N/c1cc(NCc2ccc(C)cc2)ccc1C
InChIInChI=1S/C17H20N2/c1-4-18-17-11-16(10-7-14(17)3)19-12-15-8-5-13(2)6-9-15/h4-11,19H,12H2,1-3H3/b18-4+
InChIKeyBOHBZEUBWSOWGW-JJPRUIFNSA-N
MW252.36 g/mol
LogP4.64
Rot. Bonds4

About 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline

3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 143961158) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID143961158
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESC/C=N/c1cc(NCc2ccc(C)cc2)ccc1C
InChIInChI=1S/C17H20N2/c1-4-18-17-11-16(10-7-14(17)3)19-12-15-8-5-13(2)6-9-15/h4-11,19H,12H2,1-3H3/b18-4+
InChIKeyBOHBZEUBWSOWGW-JJPRUIFNSA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43230338
3-bromo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 39395065
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
2-methyl-4-[(4-methylphenyl)methylamino]benzenecarbothioamide
CID 81278781
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide
CID 162521310
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234

Frequently Asked Questions

What is the IUPAC name of 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline (CID 143961158) is 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline is C/C=N/c1cc(NCc2ccc(C)cc2)ccc1C.
What is the InChIKey of 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is BOHBZEUBWSOWGW-JJPRUIFNSA-N. The full InChI is InChI=1S/C17H20N2/c1-4-18-17-11-16(10-7-14(17)3)19-12-15-8-5-13(2)6-9-15/h4-11,19H,12H2,1-3H3/b18-4+.
What are the key properties of 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline?
3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 252.36 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylideneamino)-4-methyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 143961158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).