(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine

C17H26N2O2 — CID 125482649

IUPAC(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCOc1ccc([C@@H](C)N[C@H]2CCOC23CCNCC3)cc1
InChIInChI=1S/C17H26N2O2/c1-13(14-3-5-15(20-2)6-4-14)19-16-7-12-21-17(16)8-10-18-11-9-17/h3-6,13,16,18-19H,7-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyNNCCLCDGPZVGEG-CJNGLKHVSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds4

About (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine

(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 125482649) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID125482649
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCOc1ccc([C@@H](C)N[C@H]2CCOC23CCNCC3)cc1
InChIInChI=1S/C17H26N2O2/c1-13(14-3-5-15(20-2)6-4-14)19-16-7-12-21-17(16)8-10-18-11-9-17/h3-6,13,16,18-19H,7-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyNNCCLCDGPZVGEG-CJNGLKHVSA-N
XLogP2.26
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
CID 118247870
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952051
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051
N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016
N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine
CID 22111110

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine (CID 125482649) is (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine is COc1ccc([C@@H](C)N[C@H]2CCOC23CCNCC3)cc1.
What is the InChIKey of (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is NNCCLCDGPZVGEG-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(14-3-5-15(20-2)6-4-14)19-16-7-12-21-17(16)8-10-18-11-9-17/h3-6,13,16,18-19H,7-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 125482649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).