2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde

C17H19NO2 — CID 57147014

IUPAC2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde
SMILESCC(CCN)(Oc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(11-12-18,15-8-3-2-4-9-15)20-16-10-6-5-7-14(16)13-19/h2-10,13H,11-12,18H2,1H3
InChIKeyORAXHDNQPNRDDO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde

2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde (PubChem CID 57147014) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde.

Molecular Properties

Compound Name2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde
PubChem CID57147014
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde
SMILESCC(CCN)(Oc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(11-12-18,15-8-3-2-4-9-15)20-16-10-6-5-7-14(16)13-19/h2-10,13H,11-12,18H2,1H3
InChIKeyORAXHDNQPNRDDO-UHFFFAOYSA-N
XLogP3.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.14
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

Propafenone
CID 4932
Exalamide
CID 3316
Etafenone
CID 3275
Propafenone, (R)-
CID 184819
2-(Benzyloxy)benzaldehyde
CID 344784
Propafenone, (S)-
CID 184820
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
o-Phenoxybenzaldehyde
CID 88060
N-Depropylpropafenone
CID 128820
(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732199
2-(2-Hexyldecyloxy)benzamide
CID 18740353
Pentalamide
CID 71661

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde?
The IUPAC name of 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde (CID 57147014) is 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde.
What is the SMILES notation for 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde?
The canonical SMILES for 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde is CC(CCN)(Oc1ccccc1C=O)c1ccccc1.
What is the InChIKey of 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde?
The InChIKey is ORAXHDNQPNRDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(11-12-18,15-8-3-2-4-9-15)20-16-10-6-5-7-14(16)13-19/h2-10,13H,11-12,18H2,1H3.
What are the key properties of 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde?
2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde has a molecular weight of 269.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-phenylbutan-2-yl)oxybenzaldehyde is sourced from PubChem (CID 57147014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).