4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline

C18H20N2O — CID 88951276

IUPAC4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline
SMILESC=CCc1ccc(N=O)c(-c2ccc(N)c(CCC)c2)c1
InChIInChI=1S/C18H20N2O/c1-3-5-13-7-10-18(20-21)16(11-13)14-8-9-17(19)15(12-14)6-4-2/h3,7-12H,1,4-6,19H2,2H3
InChIKeyUEZSMVCKPIOEQF-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.01
Rot. Bonds6

About 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline

4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline (PubChem CID 88951276) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline.

Molecular Properties

Compound Name4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline
PubChem CID88951276
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline
SMILESC=CCc1ccc(N=O)c(-c2ccc(N)c(CCC)c2)c1
InChIInChI=1S/C18H20N2O/c1-3-5-13-7-10-18(20-21)16(11-13)14-8-9-17(19)15(12-14)6-4-2/h3,7-12H,1,4-6,19H2,2H3
InChIKeyUEZSMVCKPIOEQF-UHFFFAOYSA-N
XLogP5.01
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
CID 174351688
4-(4-aminophenyl)-2-propylaniline
CID 67866626
2,4-bis(prop-2-enyl)aniline
CID 67154427
2-(2-nitroso-5-propylphenyl)-4-propylphenol
CID 135266794
3-nitroso-4-propylaniline
CID 88588060
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
[2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
CID 45269977
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
2-butyl-4-phenylaniline
CID 24835781
4-(4-aminophenyl)-2-pentylaniline
CID 66665137
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline?
The IUPAC name of 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline (CID 88951276) is 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline.
What is the SMILES notation for 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline?
The canonical SMILES for 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline is C=CCc1ccc(N=O)c(-c2ccc(N)c(CCC)c2)c1.
What is the InChIKey of 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline?
The InChIKey is UEZSMVCKPIOEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-5-13-7-10-18(20-21)16(11-13)14-8-9-17(19)15(12-14)6-4-2/h3,7-12H,1,4-6,19H2,2H3.
What are the key properties of 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline?
4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline has a molecular weight of 280.37 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline is sourced from PubChem (CID 88951276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).