4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline

C21H22N2 — CID 146638185

IUPAC4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
SMILESCc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1C
InChIInChI=1S/C21H22N2/c1-14-3-4-18(13-15(14)2)21(16-5-9-19(22)10-6-16)17-7-11-20(23)12-8-17/h3-13,21H,22-23H2,1-2H3
InChIKeyAMBSUVIDEBIJJS-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.65
Rot. Bonds3

About 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline

4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline (PubChem CID 146638185) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
PubChem CID146638185
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
SMILESCc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1C
InChIInChI=1S/C21H22N2/c1-14-3-4-18(13-15(14)2)21(16-5-9-19(22)10-6-16)17-7-11-20(23)12-8-17/h3-13,21H,22-23H2,1-2H3
InChIKeyAMBSUVIDEBIJJS-UHFFFAOYSA-N
XLogP4.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.65
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-[bis(3,4-dimethylphenyl)methyl]benzaldehyde
CID 44551381
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
4-[1-(3,4-dimethylphenyl)sulfanylethyl]aniline
CID 61261294
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
CID 11289344
4-[(4-aminophenyl)-(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylaniline
CID 14453077
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 166514655
bis(3,4-dimethylphenyl)methylhydrazine
CID 105300164
(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine
CID 29069144

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline (CID 146638185) is 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline is Cc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1C.
What is the InChIKey of 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline?
The InChIKey is AMBSUVIDEBIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-14-3-4-18(13-15(14)2)21(16-5-9-19(22)10-6-16)17-7-11-20(23)12-8-17/h3-13,21H,22-23H2,1-2H3.
What are the key properties of 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline?
4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline has a molecular weight of 302.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 146638185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).