N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine

C16H21ClFN — CID 102951843

IUPACN-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
SMILESFc1ccc(CNC2CCC23CCCCC3)cc1Cl
InChIInChI=1S/C16H21ClFN/c17-13-10-12(4-5-14(13)18)11-19-15-6-9-16(15)7-2-1-3-8-16/h4-5,10,15,19H,1-3,6-9,11H2
InChIKeyXNOFHOMTNFAMGL-UHFFFAOYSA-N
MW281.80 g/mol
LogP4.68
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine

N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine (PubChem CID 102951843) has the molecular formula C16H21ClFN and a molecular weight of 281.80 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
PubChem CID102951843
Molecular FormulaC16H21ClFN
Molecular Weight281.80 g/mol
Exact Mass281.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
SMILESFc1ccc(CNC2CCC23CCCCC3)cc1Cl
InChIInChI=1S/C16H21ClFN/c17-13-10-12(4-5-14(13)18)11-19-15-6-9-16(15)7-2-1-3-8-16/h4-5,10,15,19H,1-3,6-9,11H2
InChIKeyXNOFHOMTNFAMGL-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 62539237
3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
CID 81146324
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
3-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81157197
3-[(3-chloro-4-fluorophenyl)methylamino]azepan-2-one
CID 55086968
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylthiolan-3-amine
CID 102671917

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine (CID 102951843) is N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine is Fc1ccc(CNC2CCC23CCCCC3)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
The InChIKey is XNOFHOMTNFAMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN/c17-13-10-12(4-5-14(13)18)11-19-15-6-9-16(15)7-2-1-3-8-16/h4-5,10,15,19H,1-3,6-9,11H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine has a molecular weight of 281.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).