1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde

C30H34ClFN2O2 — CID 143719808

IUPAC1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde
SMILESCCNC(c1ccc(F)cc1)C(O)c1ccccc1Cl.O=CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C16H17ClFNO.C14H17NO/c1-2-19-15(11-7-9-12(18)10-8-11)16(20)13-5-3-4-6-14(13)17;16-11-15-9-7-14(8-10-15)6-5-12-3-1-2-4-13(12)14/h3-10,15-16,19-20H,2H2,1H3;1-4,11H,5-10H2
InChIKeyXGIYNQQKNFOGJV-UHFFFAOYSA-N
MW509.07 g/mol
LogP5.99
Rot. Bonds6

About 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde

1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde (PubChem CID 143719808) has the molecular formula C30H34ClFN2O2 and a molecular weight of 509.07 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde
PubChem CID143719808
Molecular FormulaC30H34ClFN2O2
Molecular Weight509.07 g/mol
Exact Mass508.23
IUPAC Name1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde
SMILESCCNC(c1ccc(F)cc1)C(O)c1ccccc1Cl.O=CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C16H17ClFNO.C14H17NO/c1-2-19-15(11-7-9-12(18)10-8-11)16(20)13-5-3-4-6-14(13)17;16-11-15-9-7-14(8-10-15)6-5-12-3-1-2-4-13(12)14/h3-10,15-16,19-20H,2H2,1H3;1-4,11H,5-10H2
InChIKeyXGIYNQQKNFOGJV-UHFFFAOYSA-N
XLogP5.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.07
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol
CID 143719809
4-(4-ethylphenyl)-4-[(2-oxo-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)amino]butanal;methanol
CID 143719845
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 87029637
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
[3-(5-fluoro-1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]carbamic acid
CID 23367838
3'-[2-(4-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51075560
N-[(2-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 43488296
1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 163880046
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
3-(3-chloro-4-fluorophenyl)-1-[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]prop-2-en-1-one
CID 76739706
N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43227005

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde?
The IUPAC name of 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde (CID 143719808) is 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde?
The canonical SMILES for 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde is CCNC(c1ccc(F)cc1)C(O)c1ccccc1Cl.O=CN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde?
The InChIKey is XGIYNQQKNFOGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO.C14H17NO/c1-2-19-15(11-7-9-12(18)10-8-11)16(20)13-5-3-4-6-14(13)17;16-11-15-9-7-14(8-10-15)6-5-12-3-1-2-4-13(12)14/h3-10,15-16,19-20H,2H2,1H3;1-4,11H,5-10H2.
What are the key properties of 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde?
1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde has a molecular weight of 509.07 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol;spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbaldehyde is sourced from PubChem (CID 143719808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).