(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C16H22BrNO — CID 79922225

IUPAC(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(c1ccc(Br)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H22BrNO/c17-14-5-3-12(4-6-14)15(18)13-7-10-19-16(11-13)8-1-2-9-16/h3-6,13,15H,1-2,7-11,18H2
InChIKeyFJODXINQKOBDNI-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.19
Rot. Bonds2

About (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 79922225) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID79922225
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(c1ccc(Br)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H22BrNO/c17-14-5-3-12(4-6-14)15(18)13-7-10-19-16(11-13)8-1-2-9-16/h3-6,13,15H,1-2,7-11,18H2
InChIKeyFJODXINQKOBDNI-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106848506
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
(3-bromo-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010172
(5-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016683
2-(4-bromophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912214
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(3-chloro-4-iodophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 103215917
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
(5-bromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915556
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 79922225) is (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is NC(c1ccc(Br)cc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is FJODXINQKOBDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-14-5-3-12(4-6-14)15(18)13-7-10-19-16(11-13)8-1-2-9-16/h3-6,13,15H,1-2,7-11,18H2.
What are the key properties of (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 324.26 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 79922225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).