4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline

C24H25Cl2N — CID 147613699

IUPAC4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2cc(C)c(N)c(C)c2)c2c(Cl)cccc2Cl)cc(C)c1C
InChIInChI=1S/C24H25Cl2N/c1-13-9-18(10-14(2)17(13)5)22(23-20(25)7-6-8-21(23)26)19-11-15(3)24(27)16(4)12-19/h6-12,22H,27H2,1-5H3
InChIKeyGCMOAUHMHLQSOM-UHFFFAOYSA-N
MW398.38 g/mol
LogP7.30
Rot. Bonds3

About 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline

4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline (PubChem CID 147613699) has the molecular formula C24H25Cl2N and a molecular weight of 398.38 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline
PubChem CID147613699
Molecular FormulaC24H25Cl2N
Molecular Weight398.38 g/mol
Exact Mass397.14
IUPAC Name4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2cc(C)c(N)c(C)c2)c2c(Cl)cccc2Cl)cc(C)c1C
InChIInChI=1S/C24H25Cl2N/c1-13-9-18(10-14(2)17(13)5)22(23-20(25)7-6-8-21(23)26)19-11-15(3)24(27)16(4)12-19/h6-12,22H,27H2,1-5H3
InChIKeyGCMOAUHMHLQSOM-UHFFFAOYSA-N
XLogP7.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline
CID 102145996
(2,6-dichlorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43103917
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
[(3-chloro-4-methylphenyl)-(2,6-dichlorophenyl)methyl]hydrazine
CID 107562687
4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 166514655
4-(2,6-dimethylphenyl)-2,6-dimethylaniline
CID 155131505
3-[chloro-(2-chloro-6-fluorophenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433736
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43102640
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
[1-(2,6-dichlorophenyl)-2-methylprop-2-enyl]hydrazine
CID 105320086
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 104834056
1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796964

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline (CID 147613699) is 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline is Cc1cc(C(c2cc(C)c(N)c(C)c2)c2c(Cl)cccc2Cl)cc(C)c1C.
What is the InChIKey of 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline?
The InChIKey is GCMOAUHMHLQSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N/c1-13-9-18(10-14(2)17(13)5)22(23-20(25)7-6-8-21(23)26)19-11-15(3)24(27)16(4)12-19/h6-12,22H,27H2,1-5H3.
What are the key properties of 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline?
4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline has a molecular weight of 398.38 g/mol, XLogP of 7.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)-(3,4,5-trimethylphenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 147613699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).