(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C15H19Cl2NO — CID 81492336

IUPAC(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H19Cl2NO/c16-12-3-2-10(8-13(12)17)14(18)11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11,14H,1,4-7,9,18H2
InChIKeyJUDMXDIOVJCGHI-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.34
Rot. Bonds2

About (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 81492336) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID81492336
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H19Cl2NO/c16-12-3-2-10(8-13(12)17)14(18)11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11,14H,1,4-7,9,18H2
InChIKeyJUDMXDIOVJCGHI-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(3-chloro-4-iodophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 103215917
(3-chloro-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016187
(4-chloro-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 107994506
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
5-oxaspiro[3.5]nonan-8-yl(pyridin-4-yl)methanamine
CID 79914138
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915576
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(3-bromo-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010172
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
(4-bromophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79922225

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 81492336) is (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is NC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is JUDMXDIOVJCGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c16-12-3-2-10(8-13(12)17)14(18)11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11,14H,1,4-7,9,18H2.
What are the key properties of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 300.23 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 81492336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).