(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C15H19ClFNO — CID 105010217

IUPAC(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(c1cccc(F)c1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClFNO/c16-13-11(3-1-4-12(13)17)14(18)10-5-8-19-15(9-10)6-2-7-15/h1,3-4,10,14H,2,5-9,18H2
InChIKeyPHFGTQQWKMLMIC-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.83
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 105010217) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID105010217
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESNC(c1cccc(F)c1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H19ClFNO/c16-13-11(3-1-4-12(13)17)14(18)10-5-8-19-15(9-10)6-2-7-15/h1,3-4,10,14H,2,5-9,18H2
InChIKeyPHFGTQQWKMLMIC-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016808
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(2-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914958
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015
(4-bromo-2,6-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010389
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
(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

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 105010217) is (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is NC(c1cccc(F)c1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is PHFGTQQWKMLMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-13-11(3-1-4-12(13)17)14(18)10-5-8-19-15(9-10)6-2-7-15/h1,3-4,10,14H,2,5-9,18H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(2-chloro-3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 283.77 g/mol, XLogP of 3.83, 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)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 105010217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).