1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine

C19H25NO — CID 62549147

IUPAC1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCOc1cccc(C(N)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-5-21-17-8-6-7-16(11-17)19(20)12-18-14(3)9-13(2)10-15(18)4/h6-11,19H,5,12,20H2,1-4H3
InChIKeyAPHOBIGHRRHOBL-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.25
Rot. Bonds5

About 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62549147) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62549147
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCCOc1cccc(C(N)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25NO/c1-5-21-17-8-6-7-16(11-17)19(20)12-18-14(3)9-13(2)10-15(18)4/h6-11,19H,5,12,20H2,1-4H3
InChIKeyAPHOBIGHRRHOBL-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
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1-(3-ethoxyphenyl)-5-methylhexan-1-amine
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(3-ethoxyphenyl)-(3-methylphenyl)methanamine
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2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
1-(3-ethoxyphenyl)pent-3-yn-1-amine
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2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
CID 55095433
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
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(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
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1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 62549147) is 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine is CCOc1cccc(C(N)Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is APHOBIGHRRHOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-21-17-8-6-7-16(11-17)19(20)12-18-14(3)9-13(2)10-15(18)4/h6-11,19H,5,12,20H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62549147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).