N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine

C15H19BrClNO — CID 81270688

IUPACN-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESClc1ccc(NC2CCOC3(CCCC3)C2)c(Br)c1
InChIInChI=1S/C15H19BrClNO/c16-13-9-11(17)3-4-14(13)18-12-5-8-19-15(10-12)6-1-2-7-15/h3-4,9,12,18H,1-2,5-8,10H2
InChIKeyZCXWQSUMVXXMRH-UHFFFAOYSA-N
MW344.68 g/mol
LogP5.01
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine

N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 81270688) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID81270688
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC NameN-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESClc1ccc(NC2CCOC3(CCCC3)C2)c(Br)c1
InChIInChI=1S/C15H19BrClNO/c16-13-9-11(17)3-4-14(13)18-12-5-8-19-15(10-12)6-1-2-7-15/h3-4,9,12,18H,1-2,5-8,10H2
InChIKeyZCXWQSUMVXXMRH-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.68
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
N-(2,5-dibromophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895723
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
CID 79903296
N-(2-bromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898446
N-(2,4-dibromophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894936
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(2,4-dibromo-5-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103413368
N-(4-bromo-2,3-dichlorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107789020

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine (CID 81270688) is N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine is Clc1ccc(NC2CCOC3(CCCC3)C2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is ZCXWQSUMVXXMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c16-13-9-11(17)3-4-14(13)18-12-5-8-19-15(10-12)6-1-2-7-15/h3-4,9,12,18H,1-2,5-8,10H2.
What are the key properties of N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 344.68 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 81270688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).