1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine

C18H23NO2 — CID 115533560

IUPAC1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCCOc1ccccc1C(N)CCc1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-18-7-5-4-6-16(18)17(19)13-10-14-8-11-15(20-2)12-9-14/h4-9,11-12,17H,3,10,13,19H2,1-2H3
InChIKeySYZSKOLGFVWVEA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine

1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 115533560) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID115533560
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCCOc1ccccc1C(N)CCc1ccc(OC)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-18-7-5-4-6-16(18)17(19)13-10-14-8-11-15(20-2)12-9-14/h4-9,11-12,17H,3,10,13,19H2,1-2H3
InChIKeySYZSKOLGFVWVEA-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

1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
1-(3-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864744
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
CID 12875474

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 115533560) is 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine is CCOc1ccccc1C(N)CCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is SYZSKOLGFVWVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-18-7-5-4-6-16(18)17(19)13-10-14-8-11-15(20-2)12-9-14/h4-9,11-12,17H,3,10,13,19H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine?
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine 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 1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 115533560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).