1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine

C11H16ClNO2 — CID 105165684

IUPAC1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)COc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c1-13-10(7-14-2)8-15-11-5-3-9(12)4-6-11/h3-6,10,13H,7-8H2,1-2H3
InChIKeyRRDZVZDJVWRDRD-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.95
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine

1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine (PubChem CID 105165684) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
PubChem CID105165684
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)COc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c1-13-10(7-14-2)8-15-11-5-3-9(12)4-6-11/h3-6,10,13H,7-8H2,1-2H3
InChIKeyRRDZVZDJVWRDRD-UHFFFAOYSA-N
XLogP1.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-methoxy-N-methyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 107506569
1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 105096561
1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
CID 105182676
3-[4-(2-methoxyethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64807086
1-(4-chlorophenoxy)-N-ethyl-3-propoxypropan-2-amine
CID 105165293
1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
CID 107506641
1-[4-(2-methoxyethyl)phenoxy]-N-methylpentan-2-amine
CID 62044092
1-(4-chlorophenoxy)-N-ethylhexan-2-amine
CID 105125264

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine (CID 105165684) is 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine is CNC(COC)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is RRDZVZDJVWRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-13-10(7-14-2)8-15-11-5-3-9(12)4-6-11/h3-6,10,13H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine?
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 229.71 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 105165684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).