(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C16H21ClFNO — CID 105016808

IUPAC(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(c1cccc(F)c1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H21ClFNO/c17-14-12(4-3-5-13(14)18)15(19)11-6-9-20-16(10-11)7-1-2-8-16/h3-5,11,15H,1-2,6-10,19H2
InChIKeyOSSFRNIOJKTNOP-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.22
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 105016808) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID105016808
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESNC(c1cccc(F)c1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H21ClFNO/c17-14-12(4-3-5-13(14)18)15(19)11-6-9-20-16(10-11)7-1-2-8-16/h3-5,11,15H,1-2,6-10,19H2
InChIKeyOSSFRNIOJKTNOP-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010217
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914958
(5-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016683
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016736
(4-chloro-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 107994506
(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
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 105016808) is (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is NC(c1cccc(F)c1Cl)C1CCOC2(CCCC2)C1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is OSSFRNIOJKTNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c17-14-12(4-3-5-13(14)18)15(19)11-6-9-20-16(10-11)7-1-2-8-16/h3-5,11,15H,1-2,6-10,19H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 297.80 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 105016808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).