3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde

C17H19NO3 — CID 154125025

IUPAC3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde
SMILESCC(O)Cc1c(C=O)ccc(OCc2ccccc2)c1N
InChIInChI=1S/C17H19NO3/c1-12(20)9-15-14(10-19)7-8-16(17(15)18)21-11-13-5-3-2-4-6-13/h2-8,10,12,20H,9,11,18H2,1H3
InChIKeyMMSVAYQODBSMGG-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.58
Rot. Bonds6

About 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde

3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde (PubChem CID 154125025) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde
PubChem CID154125025
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde
SMILESCC(O)Cc1c(C=O)ccc(OCc2ccccc2)c1N
InChIInChI=1S/C17H19NO3/c1-12(20)9-15-14(10-19)7-8-16(17(15)18)21-11-13-5-3-2-4-6-13/h2-8,10,12,20H,9,11,18H2,1H3
InChIKeyMMSVAYQODBSMGG-UHFFFAOYSA-N
XLogP2.58
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
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

2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
CID 117469072
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
1-[2-[2-(2-hydroxypropyl)-3-phenylmethoxyphenyl]sulfanyl-6-phenylmethoxyphenyl]propan-2-ol
CID 70433050
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
3,4-bis(phenylmethoxy)-2-(trifluoromethyl)benzaldehyde;ethane
CID 142839879
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde?
The IUPAC name of 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde (CID 154125025) is 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde is CC(O)Cc1c(C=O)ccc(OCc2ccccc2)c1N.
What is the InChIKey of 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde?
The InChIKey is MMSVAYQODBSMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(20)9-15-14(10-19)7-8-16(17(15)18)21-11-13-5-3-2-4-6-13/h2-8,10,12,20H,9,11,18H2,1H3.
What are the key properties of 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde?
3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde has a molecular weight of 285.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxypropyl)-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 154125025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).