2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine

C18H21Cl2N — CID 63415329

IUPAC2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cc(C)ccc1C
InChIInChI=1S/C18H21Cl2N/c1-4-21-18(14-10-12(2)8-9-13(14)3)11-15-16(19)6-5-7-17(15)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyIHUSHCMVDHFEII-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.50
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine

2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 63415329) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
PubChem CID63415329
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)cccc1Cl)c1cc(C)ccc1C
InChIInChI=1S/C18H21Cl2N/c1-4-21-18(14-10-12(2)8-9-13(14)3)11-15-16(19)6-5-7-17(15)20/h5-10,18,21H,4,11H2,1-3H3
InChIKeyIHUSHCMVDHFEII-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63415000
1-(2,5-dimethylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 61064099
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 63414322
3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile
CID 82139465
1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
CID 105024448
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
2-(2,6-dichlorophenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115830311
2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988271

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine (CID 63415329) is 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)cccc1Cl)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is IHUSHCMVDHFEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-4-21-18(14-10-12(2)8-9-13(14)3)11-15-16(19)6-5-7-17(15)20/h5-10,18,21H,4,11H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine?
2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 63415329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).