1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine

C17H20ClNO — CID 81166108

IUPAC1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1ccc(Oc2ccc(CC(C)N)cc2Cl)cc1C
InChIInChI=1S/C17H20ClNO/c1-11-4-6-15(8-12(11)2)20-17-7-5-14(9-13(3)19)10-16(17)18/h4-8,10,13H,9,19H2,1-3H3
InChIKeyOQHMTFWFJGTACH-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.64
Rot. Bonds4

About 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine

1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine (PubChem CID 81166108) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
PubChem CID81166108
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
SMILESCc1ccc(Oc2ccc(CC(C)N)cc2Cl)cc1C
InChIInChI=1S/C17H20ClNO/c1-11-4-6-15(8-12(11)2)20-17-7-5-14(9-13(3)19)10-16(17)18/h4-8,10,13H,9,19H2,1-3H3
InChIKeyOQHMTFWFJGTACH-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine
CID 63816442
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63803663
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
CID 81160569
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
1-[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]propan-2-amine
CID 107661694
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine (CID 81166108) is 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine is Cc1ccc(Oc2ccc(CC(C)N)cc2Cl)cc1C.
What is the InChIKey of 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine?
The InChIKey is OQHMTFWFJGTACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-4-6-15(8-12(11)2)20-17-7-5-14(9-13(3)19)10-16(17)18/h4-8,10,13H,9,19H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine?
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 81166108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).