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

C16H22BrNO2 — CID 81379198

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)c1ccccc1Br
InChIInChI=1S/C16H22BrNO2/c1-12(14-4-2-3-5-15(14)17)18-13-6-8-16(9-7-13)19-10-11-20-16/h2-5,12-13,18H,6-11H2,1H3/t12-/m1/s1
InChIKeyZXZJSLRZCUEJSH-GFCCVEGCSA-N
MW340.26 g/mol
LogP3.79
Rot. Bonds3

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

N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 81379198) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID81379198
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESC[C@@H](NC1CCC2(CC1)OCCO2)c1ccccc1Br
InChIInChI=1S/C16H22BrNO2/c1-12(14-4-2-3-5-15(14)17)18-13-6-8-16(9-7-13)19-10-11-20-16/h2-5,12-13,18H,6-11H2,1H3/t12-/m1/s1
InChIKeyZXZJSLRZCUEJSH-GFCCVEGCSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
N-[(1S)-1-(2-bromophenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 81377968
N-[(1R)-1-thiophen-2-ylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28683986
N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine
CID 83033053
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28623453
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 81379198) is N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is C[C@@H](NC1CCC2(CC1)OCCO2)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is ZXZJSLRZCUEJSH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-12(14-4-2-3-5-15(14)17)18-13-6-8-16(9-7-13)19-10-11-20-16/h2-5,12-13,18H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 340.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 81379198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).