3-[4-(aminomethyl)-3-chlorophenoxy]propanamide

C10H13ClN2O2 — CID 102723769

IUPAC3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
SMILESNCc1ccc(OCCC(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c11-9-5-8(2-1-7(9)6-12)15-4-3-10(13)14/h1-2,5H,3-4,6,12H2,(H2,13,14)
InChIKeyGFDKUSFGHQUBCV-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.05
Rot. Bonds5

About 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide

3-[4-(aminomethyl)-3-chlorophenoxy]propanamide (PubChem CID 102723769) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
PubChem CID102723769
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
SMILESNCc1ccc(OCCC(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c11-9-5-8(2-1-7(9)6-12)15-4-3-10(13)14/h1-2,5H,3-4,6,12H2,(H2,13,14)
InChIKeyGFDKUSFGHQUBCV-UHFFFAOYSA-N
XLogP1.05
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
CID 102723879
2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
CID 102723882
3-(3-chlorophenoxy)propanamide
CID 23512799
[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine
CID 106721622
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 102723824
2-[4-(aminomethyl)-3-chlorophenoxy]-N-butan-2-ylacetamide
CID 102723806
3-(3,4-dichlorophenoxy)propanethioamide
CID 61000629
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
4-(3,4-dichlorophenoxy)-1-hydroxybutan-2-one
CID 95459695

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide?
The IUPAC name of 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide (CID 102723769) is 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide?
The canonical SMILES for 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide is NCc1ccc(OCCC(N)=O)cc1Cl.
What is the InChIKey of 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide?
The InChIKey is GFDKUSFGHQUBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-5-8(2-1-7(9)6-12)15-4-3-10(13)14/h1-2,5H,3-4,6,12H2,(H2,13,14).
What are the key properties of 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide?
3-[4-(aminomethyl)-3-chlorophenoxy]propanamide has a molecular weight of 228.68 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-chlorophenoxy]propanamide is sourced from PubChem (CID 102723769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).