1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine

C18H22ClNO — CID 105098748

IUPAC1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H22ClNO/c1-13-7-14(2)9-15(8-13)10-17(20-3)12-21-18-6-4-5-16(19)11-18/h4-9,11,17,20H,10,12H2,1-3H3
InChIKeySYJIROHDKWNYJC-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.17
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine

1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine (PubChem CID 105098748) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
PubChem CID105098748
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H22ClNO/c1-13-7-14(2)9-15(8-13)10-17(20-3)12-21-18-6-4-5-16(19)11-18/h4-9,11,17,20H,10,12H2,1-3H3
InChIKeySYJIROHDKWNYJC-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.17
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)-N-methyl-3-phenylpropan-2-amine
CID 105084372
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
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-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105137093
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine (CID 105098748) is 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine is CNC(COc1cccc(Cl)c1)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine?
The InChIKey is SYJIROHDKWNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13-7-14(2)9-15(8-13)10-17(20-3)12-21-18-6-4-5-16(19)11-18/h4-9,11,17,20H,10,12H2,1-3H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine?
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 105098748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).