N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

C15H20FN — CID 115968191

IUPACN-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(F)cc1CNC1CC2CCC1C2
InChIInChI=1S/C15H20FN/c1-10-2-5-14(16)8-13(10)9-17-15-7-11-3-4-12(15)6-11/h2,5,8,11-12,15,17H,3-4,6-7,9H2,1H3
InChIKeyOVZXYTSVJJFTFE-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.41
Rot. Bonds3

About N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115968191) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115968191
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(F)cc1CNC1CC2CCC1C2
InChIInChI=1S/C15H20FN/c1-10-2-5-14(16)8-13(10)9-17-15-7-11-3-4-12(15)6-11/h2,5,8,11-12,15,17H,3-4,6-7,9H2,1H3
InChIKeyOVZXYTSVJJFTFE-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 115968233
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
(1R,2R,4R)-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 98109752
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309344
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
N-[(5-fluoro-2-methylphenyl)methyl]cyclohex-2-en-1-amine
CID 115968267

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 115968191) is N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1ccc(F)cc1CNC1CC2CCC1C2.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is OVZXYTSVJJFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-10-2-5-14(16)8-13(10)9-17-15-7-11-3-4-12(15)6-11/h2,5,8,11-12,15,17H,3-4,6-7,9H2,1H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 233.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115968191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).