N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine

C18H26FN — CID 104978837

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FN/c1-14(15-4-6-16(19)7-5-15)20-17-8-12-18(13-9-17)10-2-3-11-18/h4-7,14,17,20H,2-3,8-13H2,1H3/t14-/m0/s1
InChIKeySDQMRVCRTWLPBP-AWEZNQCLSA-N
MW275.41 g/mol
LogP4.98
Rot. Bonds3

About N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine

N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine (PubChem CID 104978837) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine
PubChem CID104978837
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CCCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H26FN/c1-14(15-4-6-16(19)7-5-15)20-17-8-12-18(13-9-17)10-2-3-11-18/h4-7,14,17,20H,2-3,8-13H2,1H3/t14-/m0/s1
InChIKeySDQMRVCRTWLPBP-AWEZNQCLSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine (CID 104978837) is N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine is C[C@H](NC1CCC2(CCCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine?
The InChIKey is SDQMRVCRTWLPBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26FN/c1-14(15-4-6-16(19)7-5-15)20-17-8-12-18(13-9-17)10-2-3-11-18/h4-7,14,17,20H,2-3,8-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine has a molecular weight of 275.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 104978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).