N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene

C30H38N2 — CID 157155590

IUPACN-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
SMILESC.Cc1ccc(C)cc1.Cc1ccc(NCc2ccccc2)cc1.NCc1ccccc1
InChIInChI=1S/C14H15N.C8H10.C7H9N.CH4/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-7-3-5-8(2)6-4-7;8-6-7-4-2-1-3-5-7;/h2-10,15H,11H2,1H3;3-6H,1-2H3;1-5H,6,8H2;1H4
InChIKeyALTOENIAVNDEGX-UHFFFAOYSA-N
MW426.65 g/mol
LogP7.69
Rot. Bonds4

About N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene

N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene (PubChem CID 157155590) has the molecular formula C30H38N2 and a molecular weight of 426.65 g/mol. Its IUPAC name is N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene.

Molecular Properties

Compound NameN-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
PubChem CID157155590
Molecular FormulaC30H38N2
Molecular Weight426.65 g/mol
Exact Mass426.30
IUPAC NameN-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
SMILESC.Cc1ccc(C)cc1.Cc1ccc(NCc2ccccc2)cc1.NCc1ccccc1
InChIInChI=1S/C14H15N.C8H10.C7H9N.CH4/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-7-3-5-8(2)6-4-7;8-6-7-4-2-1-3-5-7;/h2-10,15H,11H2,1H3;3-6H,1-2H3;1-5H,6,8H2;1H4
InChIKeyALTOENIAVNDEGX-UHFFFAOYSA-N
XLogP7.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methylaniline;1-bromo-4-methylbenzene;phenylmethanamine
CID 158372976
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
CID 163931246
CID 163931246
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
phenylmethanamine;titanium(2+)
CID 21287655
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
2,2-dimethylpropane;phenylmethanamine
CID 158787980
phenylmethanamine
CID 19864074
trifluoro-[3-[(4-methylanilino)methyl]phenyl]boranuide
CID 86767277
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene?
The IUPAC name of N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene (CID 157155590) is N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene.
What is the SMILES notation for N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene?
The canonical SMILES for N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene is C.Cc1ccc(C)cc1.Cc1ccc(NCc2ccccc2)cc1.NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene?
The InChIKey is ALTOENIAVNDEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C8H10.C7H9N.CH4/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;1-7-3-5-8(2)6-4-7;8-6-7-4-2-1-3-5-7;/h2-10,15H,11H2,1H3;3-6H,1-2H3;1-5H,6,8H2;1H4.
What are the key properties of N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene?
N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene has a molecular weight of 426.65 g/mol, XLogP of 7.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene is sourced from PubChem (CID 157155590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).