2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine

C18H23NO2 — CID 62796466

IUPAC2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-11-21-16-9-7-15(8-10-16)18(19)13-14-5-4-6-17(12-14)20-2/h4-10,12,18H,3,11,13,19H2,1-2H3
InChIKeyNDYZQNKTNAHWKE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine

2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 62796466) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
PubChem CID62796466
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-11-21-16-9-7-15(8-10-16)18(19)13-14-5-4-6-17(12-14)20-2/h4-10,12,18H,3,11,13,19H2,1-2H3
InChIKeyNDYZQNKTNAHWKE-UHFFFAOYSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
[(3-methoxyphenyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105191804
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine (CID 62796466) is 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is NDYZQNKTNAHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-11-21-16-9-7-15(8-10-16)18(19)13-14-5-4-6-17(12-14)20-2/h4-10,12,18H,3,11,13,19H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine?
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 62796466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).