2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine

C18H22ClNO — CID 63500552

IUPAC2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCc1cc(OCC(N)c2ccc(C(C)C)cc2)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-12(2)14-4-6-15(7-5-14)18(20)11-21-16-8-9-17(19)13(3)10-16/h4-10,12,18H,11,20H2,1-3H3
InChIKeyLFYJMWCYOPROLY-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.85
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine

2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63500552) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63500552
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCc1cc(OCC(N)c2ccc(C(C)C)cc2)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-12(2)14-4-6-15(7-5-14)18(20)11-21-16-8-9-17(19)13(3)10-16/h4-10,12,18H,11,20H2,1-3H3
InChIKeyLFYJMWCYOPROLY-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027729
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 43108631
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
methyl 2-bromo-3-(4-chloro-3-methylphenoxy)propanoate
CID 81092453
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16793482
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine (CID 63500552) is 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine is Cc1cc(OCC(N)c2ccc(C(C)C)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is LFYJMWCYOPROLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(2)14-4-6-15(7-5-14)18(20)11-21-16-8-9-17(19)13(3)10-16/h4-10,12,18H,11,20H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine?
2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63500552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).