4-ethoxyaniline;phenylmethanamine

C15H20N2O — CID 172737441

IUPAC4-ethoxyaniline;phenylmethanamine
SMILESCCOc1ccc(N)cc1.NCc1ccccc1
InChIInChI=1S/C8H11NO.C7H9N/c1-2-10-8-5-3-7(9)4-6-8;8-6-7-4-2-1-3-5-7/h3-6H,2,9H2,1H3;1-5H,6,8H2
InChIKeyIQDGCKLVBZKHHI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.81
Rot. Bonds3

About 4-ethoxyaniline;phenylmethanamine

4-ethoxyaniline;phenylmethanamine (PubChem CID 172737441) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-ethoxyaniline;phenylmethanamine.

Molecular Properties

Compound Name4-ethoxyaniline;phenylmethanamine
PubChem CID172737441
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-ethoxyaniline;phenylmethanamine
SMILESCCOc1ccc(N)cc1.NCc1ccccc1
InChIInChI=1S/C8H11NO.C7H9N/c1-2-10-8-5-3-7(9)4-6-8;8-6-7-4-2-1-3-5-7/h3-6H,2,9H2,1H3;1-5H,6,8H2
InChIKeyIQDGCKLVBZKHHI-UHFFFAOYSA-N
XLogP2.81
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
4-phenylmethoxyaniline
CID 159966727
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
4-ethoxyaniline;2-ethylphenol
CID 174728070
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
4-[(4-aminophenyl)-(4-ethoxyphenyl)methyl]aniline
CID 59136500
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
ethoxybenzene chloride
CID 21193593
phenylmethanamine
CID 19864074

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyaniline;phenylmethanamine?
The IUPAC name of 4-ethoxyaniline;phenylmethanamine (CID 172737441) is 4-ethoxyaniline;phenylmethanamine.
What is the SMILES notation for 4-ethoxyaniline;phenylmethanamine?
The canonical SMILES for 4-ethoxyaniline;phenylmethanamine is CCOc1ccc(N)cc1.NCc1ccccc1.
What is the InChIKey of 4-ethoxyaniline;phenylmethanamine?
The InChIKey is IQDGCKLVBZKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C7H9N/c1-2-10-8-5-3-7(9)4-6-8;8-6-7-4-2-1-3-5-7/h3-6H,2,9H2,1H3;1-5H,6,8H2.
What are the key properties of 4-ethoxyaniline;phenylmethanamine?
4-ethoxyaniline;phenylmethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyaniline;phenylmethanamine is sourced from PubChem (CID 172737441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).