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

C18H28N2O — CID 118247870

IUPAC(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
SMILESCOc1ccc([C@@H](C)N[C@@H]2CCCC23CCNCC3)cc1
InChIInChI=1S/C18H28N2O/c1-14(15-5-7-16(21-2)8-6-15)20-17-4-3-9-18(17)10-12-19-13-11-18/h5-8,14,17,19-20H,3-4,9-13H2,1-2H3/t14-,17-/m1/s1
InChIKeyOUWQGAUCPPZFFD-RHSMWYFYSA-N
MW288.44 g/mol
LogP3.27
Rot. Bonds4

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

(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247870) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
PubChem CID118247870
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
SMILESCOc1ccc([C@@H](C)N[C@@H]2CCCC23CCNCC3)cc1
InChIInChI=1S/C18H28N2O/c1-14(15-5-7-16(21-2)8-6-15)20-17-4-3-9-18(17)10-12-19-13-11-18/h5-8,14,17,19-20H,3-4,9-13H2,1-2H3/t14-,17-/m1/s1
InChIKeyOUWQGAUCPPZFFD-RHSMWYFYSA-N
XLogP3.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952051
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine
CID 125482649
(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
CID 118247869
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952169
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine (CID 118247870) is (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine is COc1ccc([C@@H](C)N[C@@H]2CCCC23CCNCC3)cc1.
What is the InChIKey of (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is OUWQGAUCPPZFFD-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(15-5-7-16(21-2)8-6-15)20-17-4-3-9-18(17)10-12-19-13-11-18/h5-8,14,17,19-20H,3-4,9-13H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).