2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid

C19H22ClNO4 — CID 154867066

IUPAC2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CNCC(CO)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO4/c20-17-5-1-14(2-6-17)9-16(12-22)11-21-10-15-3-7-18(8-4-15)25-13-19(23)24/h1-8,16,21-22H,9-13H2,(H,23,24)
InChIKeyZSTWADMGWVRWAW-UHFFFAOYSA-N
MW363.84 g/mol
LogP2.74
Rot. Bonds10

About 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid

2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid (PubChem CID 154867066) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid
PubChem CID154867066
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CNCC(CO)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO4/c20-17-5-1-14(2-6-17)9-16(12-22)11-21-10-15-3-7-18(8-4-15)25-13-19(23)24/h1-8,16,21-22H,9-13H2,(H,23,24)
InChIKeyZSTWADMGWVRWAW-UHFFFAOYSA-N
XLogP2.74
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
CID 170892009
2-[4-(2-ethylbutyl)phenoxy]acetic acid
CID 70838941
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]phenoxy]acetic acid;hydrochloride
CID 17209910
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
2-[4-[[3-(methylamino)propylamino]methyl]phenoxy]acetic acid
CID 102535651
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid (CID 154867066) is 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(CNCC(CO)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is ZSTWADMGWVRWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c20-17-5-1-14(2-6-17)9-16(12-22)11-21-10-15-3-7-18(8-4-15)25-13-19(23)24/h1-8,16,21-22H,9-13H2,(H,23,24).
What are the key properties of 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid?
2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 363.84 g/mol, XLogP of 2.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 154867066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).