(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C17H24BrNO — CID 79915288

IUPAC(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(c1ccccc1Br)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H24BrNO/c18-15-7-3-2-6-14(15)16(19)13-8-11-20-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16H,1,4-5,8-12,19H2
InChIKeyHUCTXHQGHOXUJA-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.58
Rot. Bonds2

About (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79915288) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79915288
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(c1ccccc1Br)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H24BrNO/c18-15-7-3-2-6-14(15)16(19)13-8-11-20-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16H,1,4-5,8-12,19H2
InChIKeyHUCTXHQGHOXUJA-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
(2-bromo-5-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016281
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808
(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79922225
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
(5-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016683
(2-bromo-5-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166248
(5-bromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915556
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107954284
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 79915288) is (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is NC(c1ccccc1Br)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is HUCTXHQGHOXUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c18-15-7-3-2-6-14(15)16(19)13-8-11-20-17(12-13)9-4-1-5-10-17/h2-3,6-7,13,16H,1,4-5,8-12,19H2.
What are the key properties of (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 338.29 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79915288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).