2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid

C19H24N2O3 — CID 46985801

IUPAC2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid
SMILESCC(C)CN(Cc1ccccn1)Cc1ccccc1OCC(=O)O
InChIInChI=1S/C19H24N2O3/c1-15(2)11-21(13-17-8-5-6-10-20-17)12-16-7-3-4-9-18(16)24-14-19(22)23/h3-10,15H,11-14H2,1-2H3,(H,22,23)
InChIKeyGISNNDILBRZDIG-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.20
Rot. Bonds9

About 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid

2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid (PubChem CID 46985801) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid
PubChem CID46985801
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid
SMILESCC(C)CN(Cc1ccccn1)Cc1ccccc1OCC(=O)O
InChIInChI=1S/C19H24N2O3/c1-15(2)11-21(13-17-8-5-6-10-20-17)12-16-7-3-4-9-18(16)24-14-19(22)23/h3-10,15H,11-14H2,1-2H3,(H,22,23)
InChIKeyGISNNDILBRZDIG-UHFFFAOYSA-N
XLogP3.20
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ono 1301
CID 6536812
N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 23724238
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563
3-{Methyl-[3-(4-pyridin-3-ylmethyl-phenoxy)-propyl]-amino}-propionic acid methyl ester
CID 11078398
3-(4-Acetoxybenzylidene)anabaseine
CID 46702533
2-[4-Chloro-2-[2-(2-methyl-3-pyridinyl)ethynyl]phenoxy]acetic acid
CID 56594386
2-[4-Chloro-2-[2-(4-propyl-3-pyridinyl)ethynyl]phenoxy]acetic acid
CID 56594511
2-[4-Chloro-2-[2-[4-(2-methylpropyl)-3-pyridinyl]ethynyl]phenoxy]acetic acid
CID 56594512
Hsr609
CID 3081352
(4-Ethoxy-benzyl)-methyl-(2-pyridin-2-yl-ethyl)-amine
CID 2843156
(E)-6-[1-[(2-ethoxyphenyl)methyl]pyrrol-2-yl]-2,4-dioxo-hex-5-enoic acid
CID 5278347
2-(2-((4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)methyl)phenoxy)acetic acid
CID 11430513

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid (CID 46985801) is 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid is CC(C)CN(Cc1ccccn1)Cc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is GISNNDILBRZDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(2)11-21(13-17-8-5-6-10-20-17)12-16-7-3-4-9-18(16)24-14-19(22)23/h3-10,15H,11-14H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid?
2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 328.41 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 46985801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).