N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine

C26H32N2 — CID 54443276

IUPACN-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cc(C)c(CNCc3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C26H32N2/c1-19-5-9-23(10-6-19)15-27-17-25-13-22(4)26(14-21(25)3)18-28-16-24-11-7-20(2)8-12-24/h5-14,27-28H,15-18H2,1-4H3
InChIKeyWPQMDFHVBSWXBC-UHFFFAOYSA-N
MW372.56 g/mol
LogP5.50
Rot. Bonds8

About N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine

N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 54443276) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID54443276
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2cc(C)c(CNCc3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C26H32N2/c1-19-5-9-23(10-6-19)15-27-17-25-13-22(4)26(14-21(25)3)18-28-16-24-11-7-20(2)8-12-24/h5-14,27-28H,15-18H2,1-4H3
InChIKeyWPQMDFHVBSWXBC-UHFFFAOYSA-N
XLogP5.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 54957738
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[(2,4-dimethylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875777
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 144851881
6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
CID 9256676
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine (CID 54443276) is N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2cc(C)c(CNCc3ccc(C)cc3)cc2C)cc1.
What is the InChIKey of N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is WPQMDFHVBSWXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-19-5-9-23(10-6-19)15-27-17-25-13-22(4)26(14-21(25)3)18-28-16-24-11-7-20(2)8-12-24/h5-14,27-28H,15-18H2,1-4H3.
What are the key properties of N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine?
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 372.56 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 54443276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).