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

C16H17Cl2NO — CID 105096561

IUPAC1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(COc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-19-14(10-12-4-2-3-5-16(12)18)11-20-15-8-6-13(17)7-9-15/h2-9,14,19H,10-11H2,1H3
InChIKeyPLMVZIJYXDFCOL-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.20
Rot. Bonds6

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

1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 105096561) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
PubChem CID105096561
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
SMILESCNC(COc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-19-14(10-12-4-2-3-5-16(12)18)11-20-15-8-6-13(17)7-9-15/h2-9,14,19H,10-11H2,1H3
InChIKeyPLMVZIJYXDFCOL-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
CID 105096248
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
CID 63416575
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
[1-(4-chlorophenoxy)-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105309838
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-N-methyl-4-phenoxybutan-2-amine
CID 102857502

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine (CID 105096561) is 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine is CNC(COc1ccc(Cl)cc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is PLMVZIJYXDFCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-19-14(10-12-4-2-3-5-16(12)18)11-20-15-8-6-13(17)7-9-15/h2-9,14,19H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine?
1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 310.22 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 105096561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).