4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline

C29H30N2 — CID 146638206

IUPAC4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2ccccc2)(c2ccccc2)c2cc(C)c(N)c(C)c2)cc(C)c1N
InChIInChI=1S/C29H30N2/c1-19-15-25(16-20(2)27(19)30)29(23-11-7-5-8-12-23,24-13-9-6-10-14-24)26-17-21(3)28(31)22(4)18-26/h5-18H,30-31H2,1-4H3
InChIKeyVUWLCVFOYMMMJW-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.47
Rot. Bonds4

About 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline

4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline (PubChem CID 146638206) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
PubChem CID146638206
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2ccccc2)(c2ccccc2)c2cc(C)c(N)c(C)c2)cc(C)c1N
InChIInChI=1S/C29H30N2/c1-19-15-25(16-20(2)27(19)30)29(23-11-7-5-8-12-23,24-13-9-6-10-14-24)26-17-21(3)28(31)22(4)18-26/h5-18H,30-31H2,1-4H3
InChIKeyVUWLCVFOYMMMJW-UHFFFAOYSA-N
XLogP6.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-3-methoxy-5-methylphenyl)-phenyl-(4-phenylphenyl)methyl]-2-methoxy-6-methylaniline
CID 146643564
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
5-[[4-methyl-3,5-bis(sulfanyl)phenyl]-diphenylmethyl]benzene-1,2,3-trithiol
CID 144907747
2,6-dimethyl-4-phenoxyaniline
CID 12546819
4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol
CID 134267119
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol
CID 139721839
4-[(4-amino-2-methylphenyl)-phenyl-(4-phenylphenyl)methyl]-3-methylaniline
CID 146638073
4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580
2-chloro-4-tritylaniline
CID 3502862
3-tert-butylaniline;tert-butylbenzene
CID 158494400
2-[[2-amino-5-(trifluoromethyl)phenyl]-diphenylmethyl]-4-methylaniline
CID 159263001

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline (CID 146638206) is 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline is Cc1cc(C(c2ccccc2)(c2ccccc2)c2cc(C)c(N)c(C)c2)cc(C)c1N.
What is the InChIKey of 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline?
The InChIKey is VUWLCVFOYMMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-19-15-25(16-20(2)27(19)30)29(23-11-7-5-8-12-23,24-13-9-6-10-14-24)26-17-21(3)28(31)22(4)18-26/h5-18H,30-31H2,1-4H3.
What are the key properties of 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline?
4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline has a molecular weight of 406.57 g/mol, XLogP of 6.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline is sourced from PubChem (CID 146638206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).