2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline

C21H27N — CID 142277333

IUPAC2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline
SMILESC=C(CCCc1ccc(C)cc1)Nc1cc(C)c(C)cc1C
InChIInChI=1S/C21H27N/c1-15-9-11-20(12-10-15)8-6-7-19(5)22-21-14-17(3)16(2)13-18(21)4/h9-14,22H,5-8H2,1-4H3
InChIKeyYRXWEBIKABNEQB-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.87
Rot. Bonds6

About 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline

2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline (PubChem CID 142277333) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline
PubChem CID142277333
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline
SMILESC=C(CCCc1ccc(C)cc1)Nc1cc(C)c(C)cc1C
InChIInChI=1S/C21H27N/c1-15-9-11-20(12-10-15)8-6-7-19(5)22-21-14-17(3)16(2)13-18(21)4/h9-14,22H,5-8H2,1-4H3
InChIKeyYRXWEBIKABNEQB-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline?
The IUPAC name of 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline (CID 142277333) is 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline.
What is the SMILES notation for 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline?
The canonical SMILES for 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline is C=C(CCCc1ccc(C)cc1)Nc1cc(C)c(C)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline?
The InChIKey is YRXWEBIKABNEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-15-9-11-20(12-10-15)8-6-7-19(5)22-21-14-17(3)16(2)13-18(21)4/h9-14,22H,5-8H2,1-4H3.
What are the key properties of 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline?
2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline has a molecular weight of 293.45 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[5-(4-methylphenyl)pent-1-en-2-yl]aniline is sourced from PubChem (CID 142277333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).