2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine

C16H17Cl2N — CID 63412435

IUPAC2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-11-6-8-12(9-7-11)16(19)10-13-14(17)4-3-5-15(13)18/h3-9,16H,2,10,19H2,1H3
InChIKeyCRHFSZLMNDYZJV-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.80
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine

2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 63412435) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
PubChem CID63412435
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-2-11-6-8-12(9-7-11)16(19)10-13-14(17)4-3-5-15(13)18/h3-9,16H,2,10,19H2,1H3
InChIKeyCRHFSZLMNDYZJV-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanol
CID 55187735
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
2-(2,6-dichlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155828
1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 63431626
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanamine
CID 55078463

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine (CID 63412435) is 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is CRHFSZLMNDYZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-11-6-8-12(9-7-11)16(19)10-13-14(17)4-3-5-15(13)18/h3-9,16H,2,10,19H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine?
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 294.23 g/mol, XLogP of 4.80, 4 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-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 63412435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).