2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid

C12H14ClNO3 — CID 102535926

IUPAC2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C12H14ClNO3/c13-9-1-4-11(17-7-12(15)16)8(5-9)6-14-10-2-3-10/h1,4-5,10,14H,2-3,6-7H2,(H,15,16)
InChIKeyQGDHVSOTUGEAOX-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.06
Rot. Bonds6

About 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid

2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid (PubChem CID 102535926) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
PubChem CID102535926
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C12H14ClNO3/c13-9-1-4-11(17-7-12(15)16)8(5-9)6-14-10-2-3-10/h1,4-5,10,14H,2-3,6-7H2,(H,15,16)
InChIKeyQGDHVSOTUGEAOX-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
2-[4-chloro-2-[[4-(methanesulfonamido)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 135107410
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 43278086
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
3-[(5-chloro-2-methoxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 166249845

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid (CID 102535926) is 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid is O=C(O)COc1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid?
The InChIKey is QGDHVSOTUGEAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-1-4-11(17-7-12(15)16)8(5-9)6-14-10-2-3-10/h1,4-5,10,14H,2-3,6-7H2,(H,15,16).
What are the key properties of 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid?
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid has a molecular weight of 255.70 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 102535926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).