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

C18H24N2 — CID 131982760

IUPAC4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline
SMILESCc1cc(-c2cc(C)c(N(C)C)c(C)c2)cc(C)c1N
InChIInChI=1S/C18H24N2/c1-11-7-15(8-12(2)17(11)19)16-9-13(3)18(20(5)6)14(4)10-16/h7-10H,19H2,1-6H3
InChIKeyPBAHURMEPKDSDZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.24
Rot. Bonds2

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

4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline (PubChem CID 131982760) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline
PubChem CID131982760
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline
SMILESCc1cc(-c2cc(C)c(N(C)C)c(C)c2)cc(C)c1N
InChIInChI=1S/C18H24N2/c1-11-7-15(8-12(2)17(11)19)16-9-13(3)18(20(5)6)14(4)10-16/h7-10H,19H2,1-6H3
InChIKeyPBAHURMEPKDSDZ-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
CID 51066481
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;sulfuric acid
CID 67612326
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid
CID 175144937
4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride
CID 172858062
4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline
CID 175068481
4-(2,6-dimethylphenyl)-2,6-dimethylaniline
CID 155131505
cobalt;2,4,6-trimethylaniline
CID 159454360
4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline
CID 139432981
tris(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);bis(4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-imine);methane
CID 158421617
4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
CID 54482332
tris(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);hydron;bis(4-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-imine);methane
CID 160628836

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline?
The IUPAC name of 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline (CID 131982760) is 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline is Cc1cc(-c2cc(C)c(N(C)C)c(C)c2)cc(C)c1N.
What is the InChIKey of 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline?
The InChIKey is PBAHURMEPKDSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-11-7-15(8-12(2)17(11)19)16-9-13(3)18(20(5)6)14(4)10-16/h7-10H,19H2,1-6H3.
What are the key properties of 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline?
4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline is sourced from PubChem (CID 131982760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).