N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine

C26H34FNO — CID 72712151

IUPACN-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine
SMILESCC(C)(NCC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C26H34FNO/c1-24(2,21-8-4-3-5-9-21)28-18-16-25(22-10-12-23(27)13-11-22)17-19-29-26(20-25)14-6-7-15-26/h3-5,8-13,28H,6-7,14-20H2,1-2H3/t25-/m1/s1
InChIKeyVIIYRFURDGPBPQ-RUZDIDTESA-N
MW395.56 g/mol
LogP6.10
Rot. Bonds6

About N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine

N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine (PubChem CID 72712151) has the molecular formula C26H34FNO and a molecular weight of 395.56 g/mol. Its IUPAC name is N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine
PubChem CID72712151
Molecular FormulaC26H34FNO
Molecular Weight395.56 g/mol
Exact Mass395.26
IUPAC NameN-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine
SMILESCC(C)(NCC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C26H34FNO/c1-24(2,21-8-4-3-5-9-21)28-18-16-25(22-10-12-23(27)13-11-22)17-19-29-26(20-25)14-6-7-15-26/h3-5,8-13,28H,6-7,14-20H2,1-2H3/t25-/m1/s1
InChIKeyVIIYRFURDGPBPQ-RUZDIDTESA-N
XLogP6.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.56
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine with MolForge

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Related Compounds

benzyl({2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine
CID 68314305
N-benzyl-2-[(9S)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314306
N-benzyl-2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]ethanamine
CID 72711948
N-benzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72711950
N-benzyl-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
CID 72711952
(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72711954
(1S)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72712149
Icmt-IN-51
CID 53387878
Icmt-IN-52
CID 53387879
Icmt-IN-2
CID 53387880
Icmt-IN-5
CID 53387881
1,9-Dioxaspiro[5.5]undec-4-yl{[1-(2-fluorophenyl)cyclopentyl]methyl}amine
CID 70751586

Frequently Asked Questions

What is the IUPAC name of N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine?
The IUPAC name of N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine (CID 72712151) is N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine.
What is the SMILES notation for N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine?
The canonical SMILES for N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine is CC(C)(NCC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1)c1ccccc1.
What is the InChIKey of N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine?
The InChIKey is VIIYRFURDGPBPQ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H34FNO/c1-24(2,21-8-4-3-5-9-21)28-18-16-25(22-10-12-23(27)13-11-22)17-19-29-26(20-25)14-6-7-15-26/h3-5,8-13,28H,6-7,14-20H2,1-2H3/t25-/m1/s1.
What are the key properties of N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine?
N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine has a molecular weight of 395.56 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine is sourced from PubChem (CID 72712151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).