2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine

C17H19Cl2N — CID 63414213

IUPAC2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(18)10-16(14)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyQVIZCFFOBVYEAI-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.36
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine

2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63414213) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63414213
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(18)10-16(14)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyQVIZCFFOBVYEAI-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104603
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 63414213) is 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is QVIZCFFOBVYEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(18)10-16(14)19/h3-8,10-11,17H,9,20H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63414213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).