2-methyl-4-(2-phenoxyethylamino)benzaldehyde

C16H17NO2 — CID 154188112

IUPAC2-methyl-4-(2-phenoxyethylamino)benzaldehyde
SMILESCc1cc(NCCOc2ccccc2)ccc1C=O
InChIInChI=1S/C16H17NO2/c1-13-11-15(8-7-14(13)12-18)17-9-10-19-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10H2,1H3
InChIKeyMGOCINFBEBSIAZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.30
Rot. Bonds6

About 2-methyl-4-(2-phenoxyethylamino)benzaldehyde

2-methyl-4-(2-phenoxyethylamino)benzaldehyde (PubChem CID 154188112) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-4-(2-phenoxyethylamino)benzaldehyde.

Molecular Properties

Compound Name2-methyl-4-(2-phenoxyethylamino)benzaldehyde
PubChem CID154188112
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-methyl-4-(2-phenoxyethylamino)benzaldehyde
SMILESCc1cc(NCCOc2ccccc2)ccc1C=O
InChIInChI=1S/C16H17NO2/c1-13-11-15(8-7-14(13)12-18)17-9-10-19-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10H2,1H3
InChIKeyMGOCINFBEBSIAZ-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
2-methyl-4-(3-phenoxypropylamino)benzoic acid
CID 81273769
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
3-methyl-4-nitro-N-(3-phenoxypropyl)aniline
CID 60969199
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
2-(4-formyl-3-methylanilino)acetonitrile
CID 154005092
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenoxyethylamino)benzaldehyde?
The IUPAC name of 2-methyl-4-(2-phenoxyethylamino)benzaldehyde (CID 154188112) is 2-methyl-4-(2-phenoxyethylamino)benzaldehyde.
What is the SMILES notation for 2-methyl-4-(2-phenoxyethylamino)benzaldehyde?
The canonical SMILES for 2-methyl-4-(2-phenoxyethylamino)benzaldehyde is Cc1cc(NCCOc2ccccc2)ccc1C=O.
What is the InChIKey of 2-methyl-4-(2-phenoxyethylamino)benzaldehyde?
The InChIKey is MGOCINFBEBSIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13-11-15(8-7-14(13)12-18)17-9-10-19-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10H2,1H3.
What are the key properties of 2-methyl-4-(2-phenoxyethylamino)benzaldehyde?
2-methyl-4-(2-phenoxyethylamino)benzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenoxyethylamino)benzaldehyde is sourced from PubChem (CID 154188112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).