4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

C20H27N — CID 43099731

IUPAC4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCCCc1ccc(NC(C)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H27N/c1-6-7-18-8-10-19(11-9-18)21-17(5)20-13-15(3)14(2)12-16(20)4/h8-13,17,21H,6-7H2,1-5H3
InChIKeyOQYWSKYLVFIFCN-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.74
Rot. Bonds5

About 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (PubChem CID 43099731) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
PubChem CID43099731
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCCCc1ccc(NC(C)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C20H27N/c1-6-7-18-8-10-19(11-9-18)21-17(5)20-13-15(3)14(2)12-16(20)4/h8-13,17,21H,6-7H2,1-5H3
InChIKeyOQYWSKYLVFIFCN-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
CID 43722122
4-propyl-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43107132
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-[1-(2-bromophenyl)ethyl]-4-propylaniline
CID 43097008
4-propyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43769073
N-(1-phenylethyl)-4-propylaniline
CID 43078217
N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
CID 43098508
4-butyl-N-[1-(3,4-dimethylphenyl)ethyl]aniline
CID 43093915
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
CID 61237493
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The IUPAC name of 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (CID 43099731) is 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is CCCc1ccc(NC(C)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The InChIKey is OQYWSKYLVFIFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-6-7-18-8-10-19(11-9-18)21-17(5)20-13-15(3)14(2)12-16(20)4/h8-13,17,21H,6-7H2,1-5H3.
What are the key properties of 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline has a molecular weight of 281.44 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43099731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).