1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine

C18H23NO2 — CID 62337452

IUPAC1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCCOc1cccc(OC(c2ccc(C)cc2)C(C)N)c1
InChIInChI=1S/C18H23NO2/c1-4-20-16-6-5-7-17(12-16)21-18(14(3)19)15-10-8-13(2)9-11-15/h5-12,14,18H,4,19H2,1-3H3
InChIKeyYGMRJKQCQKGBIF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine

1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine (PubChem CID 62337452) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
PubChem CID62337452
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCCOc1cccc(OC(c2ccc(C)cc2)C(C)N)c1
InChIInChI=1S/C18H23NO2/c1-4-20-16-6-5-7-17(12-16)21-18(14(3)19)15-10-8-13(2)9-11-15/h5-12,14,18H,4,19H2,1-3H3
InChIKeyYGMRJKQCQKGBIF-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62338448
1-(2-bromophenyl)-1-(3-ethoxyphenoxy)propan-2-amine
CID 62337254
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine (CID 62337452) is 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine is CCOc1cccc(OC(c2ccc(C)cc2)C(C)N)c1.
What is the InChIKey of 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is YGMRJKQCQKGBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-20-16-6-5-7-17(12-16)21-18(14(3)19)15-10-8-13(2)9-11-15/h5-12,14,18H,4,19H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine?
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 62337452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).