N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline

C24H29Cl2N — CID 142078721

IUPACN-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline
SMILESC=CCC(CC)CN(C(=C)CCc1ccc(Cl)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C24H29Cl2N/c1-5-7-20(6-2)17-27(23-14-8-18(3)9-15-23)19(4)10-11-21-12-13-22(25)16-24(21)26/h5,8-9,12-16,20H,1,4,6-7,10-11,17H2,2-3H3
InChIKeyKAHWJWDGSKOYMI-UHFFFAOYSA-N
MW402.41 g/mol
LogP7.86
Rot. Bonds10

About N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline

N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline (PubChem CID 142078721) has the molecular formula C24H29Cl2N and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline
PubChem CID142078721
Molecular FormulaC24H29Cl2N
Molecular Weight402.41 g/mol
Exact Mass401.17
IUPAC NameN-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline
SMILESC=CCC(CC)CN(C(=C)CCc1ccc(Cl)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C24H29Cl2N/c1-5-7-20(6-2)17-27(23-14-8-18(3)9-15-23)19(4)10-11-21-12-13-22(25)16-24(21)26/h5,8-9,12-16,20H,1,4,6-7,10-11,17H2,2-3H3
InChIKeyKAHWJWDGSKOYMI-UHFFFAOYSA-N
XLogP7.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-4-methylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113167737
3-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 100607664
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
CID 88713574
2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
3-[[(2,4-dichlorophenyl)methyl-formylamino]methyl]pentanoic acid
CID 142078766
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline?
The IUPAC name of N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline (CID 142078721) is N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline is C=CCC(CC)CN(C(=C)CCc1ccc(Cl)cc1Cl)c1ccc(C)cc1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline?
The InChIKey is KAHWJWDGSKOYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N/c1-5-7-20(6-2)17-27(23-14-8-18(3)9-15-23)19(4)10-11-21-12-13-22(25)16-24(21)26/h5,8-9,12-16,20H,1,4,6-7,10-11,17H2,2-3H3.
What are the key properties of N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline?
N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline has a molecular weight of 402.41 g/mol, XLogP of 7.86, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)but-1-en-2-yl]-N-(2-ethylpent-4-enyl)-4-methylaniline is sourced from PubChem (CID 142078721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).