1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine

C18H23NO — CID 63817173

IUPAC1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-10-17(11-9-15)20-18-7-5-4-6-16(18)12-14(3)19/h4-11,13-14H,12,19H2,1-3H3
InChIKeyQEQTVHJVEFKTQK-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.49
Rot. Bonds5

About 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine

1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine (PubChem CID 63817173) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
PubChem CID63817173
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-10-17(11-9-15)20-18-7-5-4-6-16(18)12-14(3)19/h4-11,13-14H,12,19H2,1-3H3
InChIKeyQEQTVHJVEFKTQK-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-iodophenoxy)phenyl]propan-2-amine
CID 63802805
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
CID 63815038
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine (CID 63817173) is 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine?
The InChIKey is QEQTVHJVEFKTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-8-10-17(11-9-15)20-18-7-5-4-6-16(18)12-14(3)19/h4-11,13-14H,12,19H2,1-3H3.
What are the key properties of 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine?
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63817173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).