methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate

C14H20ClNO4 — CID 104667066

IUPACmethyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1c(CC(C)N)cc(Cl)cc1OC
InChIInChI=1S/C14H20ClNO4/c1-8(16)5-10-6-11(15)7-12(18-3)13(10)20-9(2)14(17)19-4/h6-9H,5,16H2,1-4H3
InChIKeyIVUHTOINWRXRGW-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.18
Rot. Bonds6

About methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate

methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate (PubChem CID 104667066) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
PubChem CID104667066
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1c(CC(C)N)cc(Cl)cc1OC
InChIInChI=1S/C14H20ClNO4/c1-8(16)5-10-6-11(15)7-12(18-3)13(10)20-9(2)14(17)19-4/h6-9H,5,16H2,1-4H3
InChIKeyIVUHTOINWRXRGW-UHFFFAOYSA-N
XLogP2.18
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
1-[5-chloro-3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 104667037
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 104666760
1-(5-chloro-3-methoxy-2-pent-3-ynoxyphenyl)propan-2-amine
CID 104808085
2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 104665197
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 104666115
2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid
CID 77089818

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate?
The IUPAC name of methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate (CID 104667066) is methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate.
What is the SMILES notation for methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate?
The canonical SMILES for methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate is COC(=O)C(C)Oc1c(CC(C)N)cc(Cl)cc1OC.
What is the InChIKey of methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate?
The InChIKey is IVUHTOINWRXRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-8(16)5-10-6-11(15)7-12(18-3)13(10)20-9(2)14(17)19-4/h6-9H,5,16H2,1-4H3.
What are the key properties of methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate?
methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate has a molecular weight of 301.77 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate is sourced from PubChem (CID 104667066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).