ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene

C35H47N — CID 143911748

IUPACethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene
SMILESCC.CCC.Cc1ccc(CN(C)c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C22H23N.C8H10.C3H8.C2H6/c1-17-4-8-19(9-5-17)16-23(3)22-14-12-21(13-15-22)20-10-6-18(2)7-11-20;1-7-4-3-5-8(2)6-7;1-3-2;1-2/h4-15H,16H2,1-3H3;3-6H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyIGGSZBQGZNHASB-UHFFFAOYSA-N
MW481.77 g/mol
LogP10.35
Rot. Bonds4

About ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene

ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene (PubChem CID 143911748) has the molecular formula C35H47N and a molecular weight of 481.77 g/mol. Its IUPAC name is ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene.

Molecular Properties

Compound Nameethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene
PubChem CID143911748
Molecular FormulaC35H47N
Molecular Weight481.77 g/mol
Exact Mass481.37
IUPAC Nameethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene
SMILESCC.CCC.Cc1ccc(CN(C)c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C22H23N.C8H10.C3H8.C2H6/c1-17-4-8-19(9-5-17)16-23(3)22-14-12-21(13-15-22)20-10-6-18(2)7-11-20;1-7-4-3-5-8(2)6-7;1-3-2;1-2/h4-15H,16H2,1-3H3;3-6H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyIGGSZBQGZNHASB-UHFFFAOYSA-N
XLogP10.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(bromomethyl)-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107080889
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
ethane;propane;1,3-xylene
CID 144528046
ethane;1,3-xylene;1,4-xylene
CID 145425556
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
CID 105347348
carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
CID 164981167
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene?
The IUPAC name of ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene (CID 143911748) is ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene.
What is the SMILES notation for ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene?
The canonical SMILES for ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene is CC.CCC.Cc1ccc(CN(C)c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1cccc(C)c1.
What is the InChIKey of ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene?
The InChIKey is IGGSZBQGZNHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N.C8H10.C3H8.C2H6/c1-17-4-8-19(9-5-17)16-23(3)22-14-12-21(13-15-22)20-10-6-18(2)7-11-20;1-7-4-3-5-8(2)6-7;1-3-2;1-2/h4-15H,16H2,1-3H3;3-6H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene?
ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene has a molecular weight of 481.77 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene is sourced from PubChem (CID 143911748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).