2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine

C18H21Cl2N — CID 115842871

IUPAC2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H21Cl2N/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-11-14(19)8-9-16(15)20/h4-9,11,17H,10,21H2,1-3H3
InChIKeyXLUMAIRYIXYJBB-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.53
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine

2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 115842871) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
PubChem CID115842871
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H21Cl2N/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-11-14(19)8-9-16(15)20/h4-9,11,17H,10,21H2,1-3H3
InChIKeyXLUMAIRYIXYJBB-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
(2R)-2-amino-2-(5-tert-butyl-2-chlorophenyl)ethanol
CID 66515156
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine (CID 115842871) is 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine is CC(C)(C)c1ccc(CC(N)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is XLUMAIRYIXYJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-11-14(19)8-9-16(15)20/h4-9,11,17H,10,21H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine?
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 322.28 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115842871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).