benzaldehyde;2-(3-methoxyphenyl)ethanamine

C16H19NO2 — CID 89401887

IUPACbenzaldehyde;2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCN)c1.O=Cc1ccccc1
InChIInChI=1S/C9H13NO.C7H6O/c1-11-9-4-2-3-8(7-9)5-6-10;8-6-7-4-2-1-3-5-7/h2-4,7H,5-6,10H2,1H3;1-6H
InChIKeyGXKGCVYLZAONHI-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.70
Rot. Bonds4

About benzaldehyde;2-(3-methoxyphenyl)ethanamine

benzaldehyde;2-(3-methoxyphenyl)ethanamine (PubChem CID 89401887) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is benzaldehyde;2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Namebenzaldehyde;2-(3-methoxyphenyl)ethanamine
PubChem CID89401887
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namebenzaldehyde;2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCN)c1.O=Cc1ccccc1
InChIInChI=1S/C9H13NO.C7H6O/c1-11-9-4-2-3-8(7-9)5-6-10;8-6-7-4-2-1-3-5-7/h2-4,7H,5-6,10H2,1H3;1-6H
InChIKeyGXKGCVYLZAONHI-UHFFFAOYSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
2-(3-chlorophenyl)ethanamine;4-phenoxybenzaldehyde
CID 23291749
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619
benzaldehyde;4-methoxyaniline
CID 159915454
4-(3-methoxyphenyl)butanal
CID 10821200
4-[(3-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418108
4-phenylbenzaldehyde;2-phenylethanamine
CID 23291840
1-methoxy-3-propylbenzene
CID 14270128
4-(3-methoxyphenyl)-2-methylbutanal
CID 64664101
7-(3-methoxyphenyl)heptanal
CID 86640154
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 95469549

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-(3-methoxyphenyl)ethanamine?
The IUPAC name of benzaldehyde;2-(3-methoxyphenyl)ethanamine (CID 89401887) is benzaldehyde;2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for benzaldehyde;2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for benzaldehyde;2-(3-methoxyphenyl)ethanamine is COc1cccc(CCN)c1.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;2-(3-methoxyphenyl)ethanamine?
The InChIKey is GXKGCVYLZAONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C7H6O/c1-11-9-4-2-3-8(7-9)5-6-10;8-6-7-4-2-1-3-5-7/h2-4,7H,5-6,10H2,1H3;1-6H.
What are the key properties of benzaldehyde;2-(3-methoxyphenyl)ethanamine?
benzaldehyde;2-(3-methoxyphenyl)ethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 89401887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).