6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline

C22H28ClNO — CID 70393158

IUPAC6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline
SMILESC=C(c1ccc(Cl)cc1)c1ccc(CC)c(C)c1NC(CC)OCC
InChIInChI=1S/C22H28ClNO/c1-6-17-11-14-20(15(4)18-9-12-19(23)13-10-18)22(16(17)5)24-21(7-2)25-8-3/h9-14,21,24H,4,6-8H2,1-3,5H3
InChIKeyNVAYYIJNFCHUMN-UHFFFAOYSA-N
MW357.93 g/mol
LogP6.46
Rot. Bonds8

About 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline

6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline (PubChem CID 70393158) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline
PubChem CID70393158
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline
SMILESC=C(c1ccc(Cl)cc1)c1ccc(CC)c(C)c1NC(CC)OCC
InChIInChI=1S/C22H28ClNO/c1-6-17-11-14-20(15(4)18-9-12-19(23)13-10-18)22(16(17)5)24-21(7-2)25-8-3/h9-14,21,24H,4,6-8H2,1-3,5H3
InChIKeyNVAYYIJNFCHUMN-UHFFFAOYSA-N
XLogP6.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.93
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-4-N-(2-methoxyethyl)benzene-1,4-diamine
CID 18371537
2-(4-chlorophenyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 18371881
N-(1-butan-2-yloxypropyl)-4-[1-(4-chlorophenyl)ethenyl]-2-methylaniline
CID 20040235
N-[2-(4-chlorophenyl)ethyl]-2,6-dimethylaniline
CID 20232776
N-(3-butoxypropyl)-4-[1-(4-chlorophenyl)ethenyl]-2-methylaniline
CID 57308757
(6-Chloro-3'-ethyl-2-biphenylyl)[4-(methyloxy)butyl]amine
CID 59397507
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylaniline
CID 60166194
N-[[4-chloro-2-[(Z)-2-chloroprop-1-enyl]phenyl]methyl]-2,6-di(propan-2-yl)aniline
CID 89516757
2,3,5,6-tetramethyl-N-[2-[2-(2,3,5,6-tetramethylanilino)ethoxy]ethyl]aniline
CID 118681908
N-[(1Z)-buta-1,3-dienyl]-5-[3-[4-[[(1Z)-buta-1,3-dienyl]-methylamino]-3-methylbutyl]-4-chlorophenyl]-2,3-dimethylaniline
CID 130424955
2-benzyl-N-butyl-5-(chloromethyl)-3-methylaniline
CID 139574295
N-[4-[(4-chlorophenyl)methyl]-2,5-dimethylphenyl]acetamide
CID 141760029

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline?
The IUPAC name of 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline (CID 70393158) is 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline.
What is the SMILES notation for 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline?
The canonical SMILES for 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline is C=C(c1ccc(Cl)cc1)c1ccc(CC)c(C)c1NC(CC)OCC.
What is the InChIKey of 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline?
The InChIKey is NVAYYIJNFCHUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO/c1-6-17-11-14-20(15(4)18-9-12-19(23)13-10-18)22(16(17)5)24-21(7-2)25-8-3/h9-14,21,24H,4,6-8H2,1-3,5H3.
What are the key properties of 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline?
6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline has a molecular weight of 357.93 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)ethenyl]-N-(1-ethoxypropyl)-3-ethyl-2-methylaniline is sourced from PubChem (CID 70393158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).