2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid

C9H10ClNO3 — CID 102723879

IUPAC2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
SMILESNCc1ccc(OCC(=O)O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c10-8-3-7(14-5-9(12)13)2-1-6(8)4-11/h1-3H,4-5,11H2,(H,12,13)
InChIKeyJBGNQDFFHMSGKC-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.26
Rot. Bonds4

About 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid

2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid (PubChem CID 102723879) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
PubChem CID102723879
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
SMILESNCc1ccc(OCC(=O)O)cc1Cl
InChIInChI=1S/C9H10ClNO3/c10-8-3-7(14-5-9(12)13)2-1-6(8)4-11/h1-3H,4-5,11H2,(H,12,13)
InChIKeyJBGNQDFFHMSGKC-UHFFFAOYSA-N
XLogP1.26
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
CID 102723769
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide
CID 102723806
2-[3-chloro-4-(2,4,5-trichlorophenyl)phenoxy]acetic acid
CID 59946846
2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 102723824
2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
CID 102723882
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
bis(2-(3,4-dichlorophenoxy)acetic acid);bis(diphenylphosphorylbenzene)
CID 139053943
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid (CID 102723879) is 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid is NCc1ccc(OCC(=O)O)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid?
The InChIKey is JBGNQDFFHMSGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-8-3-7(14-5-9(12)13)2-1-6(8)4-11/h1-3H,4-5,11H2,(H,12,13).
What are the key properties of 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid?
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid has a molecular weight of 215.64 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid is sourced from PubChem (CID 102723879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).