1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine

C18H23NO — CID 63817540

IUPAC1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
SMILESCCc1ccc(Oc2ccc(CC(C)N)cc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-15-5-8-17(9-6-15)20-18-10-7-16(11-13(18)2)12-14(3)19/h5-11,14H,4,12,19H2,1-3H3
InChIKeyDUCQKMIWRKZBFK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds5

About 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine

1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine (PubChem CID 63817540) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
PubChem CID63817540
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
SMILESCCc1ccc(Oc2ccc(CC(C)N)cc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-15-5-8-17(9-6-15)20-18-10-7-16(11-13(18)2)12-14(3)19/h5-11,14H,4,12,19H2,1-3H3
InChIKeyDUCQKMIWRKZBFK-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine
CID 63816442
1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63803663
1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
CID 107668887
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine (CID 63817540) is 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine is CCc1ccc(Oc2ccc(CC(C)N)cc2C)cc1.
What is the InChIKey of 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine?
The InChIKey is DUCQKMIWRKZBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-5-8-17(9-6-15)20-18-10-7-16(11-13(18)2)12-14(3)19/h5-11,14H,4,12,19H2,1-3H3.
What are the key properties of 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine?
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 63817540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).