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

C11H16ClNO2 — CID 103228336

IUPAC2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)Oc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-13-7-11(8-14-2)15-10-5-3-4-9(12)6-10/h3-6,11,13H,7-8H2,1-2H3
InChIKeyOVCHNZDJJBBAIQ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.95
Rot. Bonds6

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

2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine (PubChem CID 103228336) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
PubChem CID103228336
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)Oc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-13-7-11(8-14-2)15-10-5-3-4-9(12)6-10/h3-6,11,13H,7-8H2,1-2H3
InChIKeyOVCHNZDJJBBAIQ-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

N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
2-(3-chlorophenoxy)propane-1,3-diol
CID 137319969
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
2-(3-fluoro-4-methylphenoxy)-3-methoxy-N-methylpropan-1-amine
CID 107170775
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
1-[2-(3-chlorophenoxy)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111513070
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228503
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine (CID 103228336) is 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine is CNCC(COC)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is OVCHNZDJJBBAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-13-7-11(8-14-2)15-10-5-3-4-9(12)6-10/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine?
2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-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 2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 103228336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).