1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine

C17H20ClNO — CID 105088402

IUPAC1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccc(C)cc1
InChIInChI=1S/C17H20ClNO/c1-13-6-8-14(9-7-13)10-16(19-2)12-20-17-5-3-4-15(18)11-17/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyLZLQPWZONXDRTN-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine

1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 105088402) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
PubChem CID105088402
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccc(C)cc1
InChIInChI=1S/C17H20ClNO/c1-13-6-8-14(9-7-13)10-16(19-2)12-20-17-5-3-4-15(18)11-17/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeyLZLQPWZONXDRTN-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
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-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 105086778
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine (CID 105088402) is 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine is CNC(COc1cccc(Cl)c1)Cc1ccc(C)cc1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is LZLQPWZONXDRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-6-8-14(9-7-13)10-16(19-2)12-20-17-5-3-4-15(18)11-17/h3-9,11,16,19H,10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine?
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.86, 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-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 105088402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).