1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine

C18H23NO — CID 115995554

IUPAC1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-5-17(19-4)16-8-6-7-9-18(16)20-15-11-13(2)10-14(3)12-15/h6-12,17,19H,5H2,1-4H3
InChIKeyJAJOMHHKLLJGCJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.77
Rot. Bonds5

About 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine

1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 115995554) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
PubChem CID115995554
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-5-17(19-4)16-8-6-7-9-18(16)20-15-11-13(2)10-14(3)12-15/h6-12,17,19H,5H2,1-4H3
InChIKeyJAJOMHHKLLJGCJ-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 107724832
1-[2-(3-methoxyphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995535
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
1-[2-(4-bromo-3-methylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995748
N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine
CID 115995677
1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
CID 112678488
1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
CID 115995706
2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide
CID 101177983
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine
CID 115995484
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine (CID 115995554) is 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1Oc1cc(C)cc(C)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is JAJOMHHKLLJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-17(19-4)16-8-6-7-9-18(16)20-15-11-13(2)10-14(3)12-15/h6-12,17,19H,5H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine?
1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115995554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).