1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine

C18H23NO2 — CID 104659024

IUPAC1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-13-21-17-8-6-5-7-16(17)18(2,19)14-9-11-15(20-3)12-10-14/h5-12H,4,13,19H2,1-3H3
InChIKeyHYRJNXZEZIMMOT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine

1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine (PubChem CID 104659024) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
PubChem CID104659024
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-13-21-17-8-6-5-7-16(17)18(2,19)14-9-11-15(20-3)12-10-14/h5-12H,4,13,19H2,1-3H3
InChIKeyHYRJNXZEZIMMOT-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659008
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol
CID 104658498
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
1-(4-fluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 104658477
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104659021
1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
CID 107512472
2-methyl-2-(2-propoxyphenyl)propanoic acid
CID 104662391
1-phenyl-2-(2-propoxyphenyl)butan-2-amine
CID 104659088
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine (CID 104659024) is 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(C)(N)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine?
The InChIKey is HYRJNXZEZIMMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-13-21-17-8-6-5-7-16(17)18(2,19)14-9-11-15(20-3)12-10-14/h5-12H,4,13,19H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine?
1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 104659024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).