2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine

C18H22ClNO — CID 63458293

IUPAC2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(OC(CN)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-18(2,3)14-7-9-16(10-8-14)21-17(12-20)13-5-4-6-15(19)11-13/h4-11,17H,12,20H2,1-3H3
InChIKeyKRXWNBJKWMBYGX-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.72
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine

2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine (PubChem CID 63458293) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
PubChem CID63458293
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(OC(CN)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-18(2,3)14-7-9-16(10-8-14)21-17(12-20)13-5-4-6-15(19)11-13/h4-11,17H,12,20H2,1-3H3
InChIKeyKRXWNBJKWMBYGX-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine
CID 130253559
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 63879326
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine (CID 63458293) is 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine is CC(C)(C)c1ccc(OC(CN)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine?
The InChIKey is KRXWNBJKWMBYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-18(2,3)14-7-9-16(10-8-14)21-17(12-20)13-5-4-6-15(19)11-13/h4-11,17H,12,20H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine?
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 63458293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).