2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline

C16H17Cl2N — CID 43104033

IUPAC2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
SMILESCCc1ccc(C(C)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-8-14(17)10-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyGXKVSCDIAVZMME-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.73
Rot. Bonds4

About 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline

2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline (PubChem CID 43104033) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
PubChem CID43104033
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
SMILESCCc1ccc(C(C)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-8-14(17)10-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyGXKVSCDIAVZMME-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 107632037
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
2-[4-[1-(2,4-dichloroanilino)ethyl]phenoxy]acetonitrile
CID 43758671
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline (CID 43104033) is 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline is CCc1ccc(C(C)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline?
The InChIKey is GXKVSCDIAVZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-8-14(17)10-15(16)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline?
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline has a molecular weight of 294.23 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline is sourced from PubChem (CID 43104033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).