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

C11H16ClNO — CID 61412300

IUPAC1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
SMILESCNC(CCOC)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-13-11(7-8-14-2)9-5-3-4-6-10(9)12/h3-6,11,13H,7-8H2,1-2H3
InChIKeyXLORQGONUHCQGZ-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.64
Rot. Bonds5

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

1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine (PubChem CID 61412300) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
PubChem CID61412300
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
SMILESCNC(CCOC)c1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-13-11(7-8-14-2)9-5-3-4-6-10(9)12/h3-6,11,13H,7-8H2,1-2H3
InChIKeyXLORQGONUHCQGZ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539176
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 62233713
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(3-bromo-2-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055045
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635128
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine (CID 61412300) is 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine is CNC(CCOC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is XLORQGONUHCQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-13-11(7-8-14-2)9-5-3-4-6-10(9)12/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine?
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 61412300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).