2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid

C20H25NO3 — CID 162647914

IUPAC2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid
SMILESCCNc1ccc(Cc2ccc(OCC(=O)O)cc2)cc1C(C)C
InChIInChI=1S/C20H25NO3/c1-4-21-19-10-7-16(12-18(19)14(2)3)11-15-5-8-17(9-6-15)24-13-20(22)23/h5-10,12,14,21H,4,11,13H2,1-3H3,(H,22,23)
InChIKeyFWSRLRKOGIGMSJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.30
Rot. Bonds8

About 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid

2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid (PubChem CID 162647914) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid
PubChem CID162647914
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid
SMILESCCNc1ccc(Cc2ccc(OCC(=O)O)cc2)cc1C(C)C
InChIInChI=1S/C20H25NO3/c1-4-21-19-10-7-16(12-18(19)14(2)3)11-15-5-8-17(9-6-15)24-13-20(22)23/h5-10,12,14,21H,4,11,13H2,1-3H3,(H,22,23)
InChIKeyFWSRLRKOGIGMSJ-UHFFFAOYSA-N
XLogP4.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid (CID 162647914) is 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid is CCNc1ccc(Cc2ccc(OCC(=O)O)cc2)cc1C(C)C.
What is the InChIKey of 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid?
The InChIKey is FWSRLRKOGIGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-21-19-10-7-16(12-18(19)14(2)3)11-15-5-8-17(9-6-15)24-13-20(22)23/h5-10,12,14,21H,4,11,13H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid?
2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid has a molecular weight of 327.42 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(ethylamino)-3-propan-2-ylphenyl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 162647914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).