1-(4-ethylphenyl)-N-methoxyethanamine

C11H17NO — CID 82706514

IUPAC1-(4-ethylphenyl)-N-methoxyethanamine
SMILESCCc1ccc(C(C)NOC)cc1
InChIInChI=1S/C11H17NO/c1-4-10-5-7-11(8-6-10)9(2)12-13-3/h5-9,12H,4H2,1-3H3
InChIKeyFCFZURUVWIZRLI-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-ethylphenyl)-N-methoxyethanamine

1-(4-ethylphenyl)-N-methoxyethanamine (PubChem CID 82706514) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methoxyethanamine
PubChem CID82706514
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(4-ethylphenyl)-N-methoxyethanamine
SMILESCCc1ccc(C(C)NOC)cc1
InChIInChI=1S/C11H17NO/c1-4-10-5-7-11(8-6-10)9(2)12-13-3/h5-9,12H,4H2,1-3H3
InChIKeyFCFZURUVWIZRLI-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine
CID 115705865
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
1-(dimethoxymethyl)-4-ethylbenzene
CID 20549049
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methoxyethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methoxyethanamine (CID 82706514) is 1-(4-ethylphenyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methoxyethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methoxyethanamine is CCc1ccc(C(C)NOC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methoxyethanamine?
The InChIKey is FCFZURUVWIZRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-10-5-7-11(8-6-10)9(2)12-13-3/h5-9,12H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methoxyethanamine?
1-(4-ethylphenyl)-N-methoxyethanamine has a molecular weight of 179.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methoxyethanamine is sourced from PubChem (CID 82706514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).