4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline

C23H34N2 — CID 3016526

IUPAC4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline
SMILESCCc1cc(Cc2cc(C(C)C)c(N)c(C(C)C)c2)cc(CC)c1N
InChIInChI=1S/C23H34N2/c1-7-18-10-16(11-19(8-2)22(18)24)9-17-12-20(14(3)4)23(25)21(13-17)15(5)6/h10-15H,7-9,24-25H2,1-6H3
InChIKeyXOMUHHURHSJLDC-UHFFFAOYSA-N
MW338.54 g/mol
LogP5.81
Rot. Bonds6

About 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline

4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline (PubChem CID 3016526) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline.

Molecular Properties

Compound Name4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline
PubChem CID3016526
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline
SMILESCCc1cc(Cc2cc(C(C)C)c(N)c(C(C)C)c2)cc(CC)c1N
InChIInChI=1S/C23H34N2/c1-7-18-10-16(11-19(8-2)22(18)24)9-17-12-20(14(3)4)23(25)21(13-17)15(5)6/h10-15H,7-9,24-25H2,1-6H3
InChIKeyXOMUHHURHSJLDC-UHFFFAOYSA-N
XLogP5.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 55.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline?
The IUPAC name of 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline (CID 3016526) is 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline.
What is the SMILES notation for 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline?
The canonical SMILES for 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline is CCc1cc(Cc2cc(C(C)C)c(N)c(C(C)C)c2)cc(CC)c1N.
What is the InChIKey of 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline?
The InChIKey is XOMUHHURHSJLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-7-18-10-16(11-19(8-2)22(18)24)9-17-12-20(14(3)4)23(25)21(13-17)15(5)6/h10-15H,7-9,24-25H2,1-6H3.
What are the key properties of 4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline?
4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline has a molecular weight of 338.54 g/mol, XLogP of 5.81, 6 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-di(propan-2-yl)phenyl]methyl]-2,6-diethylaniline is sourced from PubChem (CID 3016526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).