N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline

C22H29ClN2 — CID 143816280

IUPACN-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline
SMILESC=C(Nc1ccccc1C)c1cc(N(CCC)CCCC)ccc1Cl
InChIInChI=1S/C22H29ClN2/c1-5-7-15-25(14-6-2)19-12-13-21(23)20(16-19)18(4)24-22-11-9-8-10-17(22)3/h8-13,16,24H,4-7,14-15H2,1-3H3
InChIKeyRXEMTUAWVLICJI-UHFFFAOYSA-N
MW356.94 g/mol
LogP6.75
Rot. Bonds9

About N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline

N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline (PubChem CID 143816280) has the molecular formula C22H29ClN2 and a molecular weight of 356.94 g/mol. Its IUPAC name is N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline.

Molecular Properties

Compound NameN-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline
PubChem CID143816280
Molecular FormulaC22H29ClN2
Molecular Weight356.94 g/mol
Exact Mass356.20
IUPAC NameN-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline
SMILESC=C(Nc1ccccc1C)c1cc(N(CCC)CCCC)ccc1Cl
InChIInChI=1S/C22H29ClN2/c1-5-7-15-25(14-6-2)19-12-13-21(23)20(16-19)18(4)24-22-11-9-8-10-17(22)3/h8-13,16,24H,4-7,14-15H2,1-3H3
InChIKeyRXEMTUAWVLICJI-UHFFFAOYSA-N
XLogP6.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.94
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
N-[5-(dibutylamino)-2-methylphenyl]acetamide
CID 148976423
2-chloro-4-(dibutylamino)benzenecarbothioamide
CID 63518017
butane;butan-2-one;hexane;4-methyl-2-[1-(2-methylanilino)ethenyl]phenol
CID 143816040
N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
CID 59121257
2-[4-(dibutylamino)-2-methylphenyl]ethene-1,1,2-tricarbonitrile
CID 88856819
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
4-methylheptane;2-methylhexane;4-methyl-2-[1-(2-methylanilino)ethenyl]phenol
CID 143816143
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-N-butyl-6-N-methyl-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109099533
2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
CID 76997817

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline?
The IUPAC name of N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline (CID 143816280) is N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline.
What is the SMILES notation for N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline?
The canonical SMILES for N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline is C=C(Nc1ccccc1C)c1cc(N(CCC)CCCC)ccc1Cl.
What is the InChIKey of N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline?
The InChIKey is RXEMTUAWVLICJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2/c1-5-7-15-25(14-6-2)19-12-13-21(23)20(16-19)18(4)24-22-11-9-8-10-17(22)3/h8-13,16,24H,4-7,14-15H2,1-3H3.
What are the key properties of N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline?
N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline has a molecular weight of 356.94 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-3-[1-(2-methylanilino)ethenyl]-N-propylaniline is sourced from PubChem (CID 143816280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).