1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine

C16H18ClNO — CID 105084372

IUPAC1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-15(10-13-6-3-2-4-7-13)12-19-16-9-5-8-14(17)11-16/h2-9,11,15,18H,10,12H2,1H3
InChIKeyQCFXQOAFSBCMBC-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine

1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine (PubChem CID 105084372) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
PubChem CID105084372
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-15(10-13-6-3-2-4-7-13)12-19-16-9-5-8-14(17)11-16/h2-9,11,15,18H,10,12H2,1H3
InChIKeyQCFXQOAFSBCMBC-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 105086778
1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105137093
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine (CID 105084372) is 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine is CNC(COc1cccc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
The InChIKey is QCFXQOAFSBCMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-15(10-13-6-3-2-4-7-13)12-19-16-9-5-8-14(17)11-16/h2-9,11,15,18H,10,12H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine is sourced from PubChem (CID 105084372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).