N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine

C16H21F2N — CID 103585511

IUPACN-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine
SMILESCc1cc(F)c(NC2CCC23CCCCC3)cc1F
InChIInChI=1S/C16H21F2N/c1-11-9-13(18)14(10-12(11)17)19-15-5-8-16(15)6-3-2-4-7-16/h9-10,15,19H,2-8H2,1H3
InChIKeyWRZYQFMPYHTEGM-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.80
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine

N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine (PubChem CID 103585511) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine
PubChem CID103585511
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC NameN-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine
SMILESCc1cc(F)c(NC2CCC23CCCCC3)cc1F
InChIInChI=1S/C16H21F2N/c1-11-9-13(18)14(10-12(11)17)19-15-5-8-16(15)6-3-2-4-7-16/h9-10,15,19H,2-8H2,1H3
InChIKeyWRZYQFMPYHTEGM-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine (CID 103585511) is N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine is Cc1cc(F)c(NC2CCC23CCCCC3)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine?
The InChIKey is WRZYQFMPYHTEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-11-9-13(18)14(10-12(11)17)19-15-5-8-16(15)6-3-2-4-7-16/h9-10,15,19H,2-8H2,1H3.
What are the key properties of N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine?
N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine has a molecular weight of 265.35 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 103585511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).