N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C17H25NO3 — CID 43202101

IUPACN-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOc1ccccc1C(C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H25NO3/c1-13(15-5-3-4-6-16(15)19-2)18-14-7-9-17(10-8-14)20-11-12-21-17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyQVTZWFVFRUBVPY-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43202101) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43202101
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOc1ccccc1C(C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H25NO3/c1-13(15-5-3-4-6-16(15)19-2)18-14-7-9-17(10-8-14)20-11-12-21-17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyQVTZWFVFRUBVPY-UHFFFAOYSA-N
XLogP3.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81379198
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28623453
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 43202101) is N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is COc1ccccc1C(C)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is QVTZWFVFRUBVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(15-5-3-4-6-16(15)19-2)18-14-7-9-17(10-8-14)20-11-12-21-17/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 291.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43202101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).