(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C17H24ClNO2 — CID 105016736

IUPAC(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c1-20-15-5-4-13(18)10-14(15)16(19)12-6-9-21-17(11-12)7-2-3-8-17/h4-5,10,12,16H,2-3,6-9,11,19H2,1H3
InChIKeyOTYBRHUPOMWFQC-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.09
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105016736) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105016736
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24ClNO2/c1-20-15-5-4-13(18)10-14(15)16(19)12-6-9-21-17(11-12)7-2-3-8-17/h4-5,10,12,16H,2-3,6-9,11,19H2,1H3
InChIKeyOTYBRHUPOMWFQC-UHFFFAOYSA-N
XLogP4.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808
(1R)-1-[5-chloro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79900456
(3-methoxy-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010165
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
(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
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(2-bromo-5-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166248
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105016736) is (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is COc1ccc(Cl)cc1C(N)C1CCOC2(CCCC2)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is OTYBRHUPOMWFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-20-15-5-4-13(18)10-14(15)16(19)12-6-9-21-17(11-12)7-2-3-8-17/h4-5,10,12,16H,2-3,6-9,11,19H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 309.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105016736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).