1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine

C18H27BrN2 — CID 63404089

IUPAC1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H27BrN2/c1-14(20)17(15-6-2-3-7-16(15)19)21-12-10-18(11-13-21)8-4-5-9-18/h2-3,6-7,14,17H,4-5,8-13,20H2,1H3
InChIKeyYEFSDMGDWHNKHN-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.49
Rot. Bonds3

About 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine

1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine (PubChem CID 63404089) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine
PubChem CID63404089
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1Br)N1CCC2(CCCC2)CC1
InChIInChI=1S/C18H27BrN2/c1-14(20)17(15-6-2-3-7-16(15)19)21-12-10-18(11-13-21)8-4-5-9-18/h2-3,6-7,14,17H,4-5,8-13,20H2,1H3
InChIKeyYEFSDMGDWHNKHN-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine
CID 55022921
2-[4-[2-amino-1-(2-bromophenyl)propyl]-1,4-diazepan-1-yl]ethanol
CID 107214066
4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one
CID 102888473
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
CID 79165611
1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 63605563
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(2-methoxyphenyl)propan-2-amine
CID 107453465
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63156273
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methoxyphenyl)propan-2-amine
CID 63156671
1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine
CID 83693001
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane
CID 125489630

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine (CID 63404089) is 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine is CC(N)C(c1ccccc1Br)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
The InChIKey is YEFSDMGDWHNKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(20)17(15-6-2-3-7-16(15)19)21-12-10-18(11-13-21)8-4-5-9-18/h2-3,6-7,14,17H,4-5,8-13,20H2,1H3.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine?
1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine has a molecular weight of 351.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine is sourced from PubChem (CID 63404089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).