N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline

C17H19Cl2N — CID 63448450

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-13-7-5-6-11(2)17(13)20-12(3)15-10-14(18)8-9-16(15)19/h5-10,12,20H,4H2,1-3H3
InChIKeyJVCHNPCYHGXZRK-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.04
Rot. Bonds4

About N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline

N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline (PubChem CID 63448450) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline
PubChem CID63448450
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H19Cl2N/c1-4-13-7-5-6-11(2)17(13)20-12(3)15-10-14(18)8-9-16(15)19/h5-10,12,20H,4H2,1-3H3
InChIKeyJVCHNPCYHGXZRK-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448610
4-chloro-2-[(1S)-1-(2,6-dimethylanilino)ethyl]phenol
CID 828639
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
N-[1-(4-chlorophenyl)propyl]-2-ethyl-6-methylaniline
CID 63448407
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 66252833
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
N-[1-(2,5-dichlorophenyl)ethyl]-2-fluoro-6-nitroaniline
CID 81306216
N-[1-(2,5-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
CID 63451223

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline (CID 63448450) is N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline?
The InChIKey is JVCHNPCYHGXZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-4-13-7-5-6-11(2)17(13)20-12(3)15-10-14(18)8-9-16(15)19/h5-10,12,20H,4H2,1-3H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline?
N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline has a molecular weight of 308.25 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 63448450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).