N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine

C19H25NO — CID 115995484

IUPACN-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1Oc1cccc(CC)c1
InChIInChI=1S/C19H25NO/c1-4-15-10-9-11-16(14-15)21-19-13-8-7-12-17(19)18(5-2)20-6-3/h7-14,18,20H,4-6H2,1-3H3
InChIKeyQKHLSIFMDWDULM-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.10
Rot. Bonds7

About N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine

N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine (PubChem CID 115995484) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine
PubChem CID115995484
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1Oc1cccc(CC)c1
InChIInChI=1S/C19H25NO/c1-4-15-10-9-11-16(14-15)21-19-13-8-7-12-17(19)18(5-2)20-6-3/h7-14,18,20H,4-6H2,1-3H3
InChIKeyQKHLSIFMDWDULM-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenoxy)phenyl]-N-propylpropan-1-amine
CID 115995564
1-[2-(3-methoxyphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995535
1-[2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylpropan-1-amine
CID 116689296
1-[2-(5-chloro-2-methylphenoxy)phenyl]-N-ethylpropan-1-amine
CID 115995719
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-methyl-1-[3-(2-propan-2-ylphenoxy)phenyl]methanamine
CID 63943488
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896
N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine
CID 115995677
1-[2-(4-bromo-3-methylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995748
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine (CID 115995484) is N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine is CCNC(CC)c1ccccc1Oc1cccc(CC)c1.
What is the InChIKey of N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine?
The InChIKey is QKHLSIFMDWDULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-15-10-9-11-16(14-15)21-19-13-8-7-12-17(19)18(5-2)20-6-3/h7-14,18,20H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine?
N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-ethylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 115995484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).