1-[3-(4-ethoxyphenyl)phenyl]ethanamine

C16H19NO — CID 54912028

IUPAC1-[3-(4-ethoxyphenyl)phenyl]ethanamine
SMILESCCOc1ccc(-c2cccc(C(C)N)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-18-16-9-7-13(8-10-16)15-6-4-5-14(11-15)12(2)17/h4-12H,3,17H2,1-2H3
InChIKeyIKGXQFLISOUIAO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.77
Rot. Bonds4

About 1-[3-(4-ethoxyphenyl)phenyl]ethanamine

1-[3-(4-ethoxyphenyl)phenyl]ethanamine (PubChem CID 54912028) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[3-(4-ethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-ethoxyphenyl)phenyl]ethanamine
PubChem CID54912028
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[3-(4-ethoxyphenyl)phenyl]ethanamine
SMILESCCOc1ccc(-c2cccc(C(C)N)c2)cc1
InChIInChI=1S/C16H19NO/c1-3-18-16-9-7-13(8-10-16)15-6-4-5-14(11-15)12(2)17/h4-12H,3,17H2,1-2H3
InChIKeyIKGXQFLISOUIAO-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-(4-phenylmethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 171391010
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-[3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541578
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene
CID 166924587
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxyphenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(4-ethoxyphenyl)phenyl]ethanamine (CID 54912028) is 1-[3-(4-ethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-ethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4-ethoxyphenyl)phenyl]ethanamine is CCOc1ccc(-c2cccc(C(C)N)c2)cc1.
What is the InChIKey of 1-[3-(4-ethoxyphenyl)phenyl]ethanamine?
The InChIKey is IKGXQFLISOUIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-18-16-9-7-13(8-10-16)15-6-4-5-14(11-15)12(2)17/h4-12H,3,17H2,1-2H3.
What are the key properties of 1-[3-(4-ethoxyphenyl)phenyl]ethanamine?
1-[3-(4-ethoxyphenyl)phenyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 54912028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).