1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine

C18H22ClNO — CID 63803663

IUPAC1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-11-7-15(10-14(4)20)5-6-17(11)21-16-8-12(2)18(19)13(3)9-16/h5-9,14H,10,20H2,1-4H3
InChIKeyHAVWOOOJHYXPIR-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.95
Rot. Bonds4

About 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine

1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine (PubChem CID 63803663) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
PubChem CID63803663
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-11-7-15(10-14(4)20)5-6-17(11)21-16-8-12(2)18(19)13(3)9-16/h5-9,14H,10,20H2,1-4H3
InChIKeyHAVWOOOJHYXPIR-UHFFFAOYSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.95
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-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
1-[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]propan-2-amine
CID 107661694
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid
CID 143752223
[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 20993580
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine (CID 63803663) is 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine is Cc1cc(CC(C)N)ccc1Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine?
The InChIKey is HAVWOOOJHYXPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-11-7-15(10-14(4)20)5-6-17(11)21-16-8-12(2)18(19)13(3)9-16/h5-9,14H,10,20H2,1-4H3.
What are the key properties of 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine?
1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 63803663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).