1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine

C19H25NO2 — CID 170864749

IUPAC1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
SMILESCCc1ccc(OCc2cc(CC(C)N)ccc2OC)cc1
InChIInChI=1S/C19H25NO2/c1-4-15-5-8-18(9-6-15)22-13-17-12-16(11-14(2)20)7-10-19(17)21-3/h5-10,12,14H,4,11,13,20H2,1-3H3
InChIKeyBXFLVIAXIKHDJS-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.73
Rot. Bonds7

About 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine

1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine (PubChem CID 170864749) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
PubChem CID170864749
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
SMILESCCc1ccc(OCc2cc(CC(C)N)ccc2OC)cc1
InChIInChI=1S/C19H25NO2/c1-4-15-5-8-18(9-6-15)22-13-17-12-16(11-14(2)20)7-10-19(17)21-3/h5-10,12,14H,4,11,13,20H2,1-3H3
InChIKeyBXFLVIAXIKHDJS-UHFFFAOYSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
1-[4-methoxy-3-[(2,4,6-tribromophenoxy)methyl]phenyl]propan-2-amine;hydrate
CID 170864519
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
2-amino-3-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]propanoic acid
CID 170879741
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529604
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
CID 107668887
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
CID 170879962
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine (CID 170864749) is 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine is CCc1ccc(OCc2cc(CC(C)N)ccc2OC)cc1.
What is the InChIKey of 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine?
The InChIKey is BXFLVIAXIKHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-15-5-8-18(9-6-15)22-13-17-12-16(11-14(2)20)7-10-19(17)21-3/h5-10,12,14H,4,11,13,20H2,1-3H3.
What are the key properties of 1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine?
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine has a molecular weight of 299.41 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-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 170864749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).