1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C16H21F2NO — CID 79914897

IUPAC1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1ccc(F)c(F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21F2NO/c1-19-15(11-3-4-13(17)14(18)9-11)12-5-8-20-16(10-12)6-2-7-16/h3-4,9,12,15,19H,2,5-8,10H2,1H3
InChIKeyPUYZXMYONDROHR-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.57
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 79914897) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID79914897
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1ccc(F)c(F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21F2NO/c1-19-15(11-3-4-13(17)14(18)9-11)12-5-8-20-16(10-12)6-2-7-16/h3-4,9,12,15,19H,2,5-8,10H2,1H3
InChIKeyPUYZXMYONDROHR-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(3-fluorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79906920
1-(4-bromo-3-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017006
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79909488
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
1-(5-iodothiophen-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010075
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 79914897) is 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CNC(c1ccc(F)c(F)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is PUYZXMYONDROHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-19-15(11-3-4-13(17)14(18)9-11)12-5-8-20-16(10-12)6-2-7-16/h3-4,9,12,15,19H,2,5-8,10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 281.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 79914897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).