2-amino-3-methoxy-4-phenylmethoxybenzaldehyde

C15H15NO3 — CID 137428196

IUPAC2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
SMILESCOc1c(OCc2ccccc2)ccc(C=O)c1N
InChIInChI=1S/C15H15NO3/c1-18-15-13(8-7-12(9-17)14(15)16)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3
InChIKeyLVTHBDOWWLRAMO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.67
Rot. Bonds5

About 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde

2-amino-3-methoxy-4-phenylmethoxybenzaldehyde (PubChem CID 137428196) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
PubChem CID137428196
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
SMILESCOc1c(OCc2ccccc2)ccc(C=O)c1N
InChIInChI=1S/C15H15NO3/c1-18-15-13(8-7-12(9-17)14(15)16)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3
InChIKeyLVTHBDOWWLRAMO-UHFFFAOYSA-N
XLogP2.67
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-phenylmethoxypyrene-1-carbaldehyde
CID 19738636
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879
3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde
CID 154125025
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
2-amino-N-ethyl-3-methoxy-4-phenylmethoxybenzamide
CID 154973812
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde (CID 137428196) is 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde is COc1c(OCc2ccccc2)ccc(C=O)c1N.
What is the InChIKey of 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde?
The InChIKey is LVTHBDOWWLRAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-15-13(8-7-12(9-17)14(15)16)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3.
What are the key properties of 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde?
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 137428196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).