1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine

C18H22ClN — CID 115484394

IUPAC1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C18H22ClN/c1-5-20-14(4)15-6-8-16(9-7-15)17-10-12(2)13(3)11-18(17)19/h6-11,14,20H,5H2,1-4H3
InChIKeyRKXXCKLLRGFGCU-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.29
Rot. Bonds4

About 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine

1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine (PubChem CID 115484394) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
PubChem CID115484394
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C18H22ClN/c1-5-20-14(4)15-6-8-16(9-7-15)17-10-12(2)13(3)11-18(17)19/h6-11,14,20H,5H2,1-4H3
InChIKeyRKXXCKLLRGFGCU-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylethanamine
CID 107476887
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009
N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63428205
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
CID 63424435
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
1-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 63533933
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81352293

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine (CID 115484394) is 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cc(C)c(C)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine?
The InChIKey is RKXXCKLLRGFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-5-20-14(4)15-6-8-16(9-7-15)17-10-12(2)13(3)11-18(17)19/h6-11,14,20H,5H2,1-4H3.
What are the key properties of 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine?
1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine has a molecular weight of 287.83 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 115484394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).