N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine

C14H18FN — CID 62810365

IUPACN-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(NC2CC3CCC2C3)ccc1F
InChIInChI=1S/C14H18FN/c1-9-6-12(4-5-13(9)15)16-14-8-10-2-3-11(14)7-10/h4-6,10-11,14,16H,2-3,7-8H2,1H3
InChIKeySTYOWKBLFIUAAR-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.73
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine

N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 62810365) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID62810365
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(NC2CC3CCC2C3)ccc1F
InChIInChI=1S/C14H18FN/c1-9-6-12(4-5-13(9)15)16-14-8-10-2-3-11(14)7-10/h4-6,10-11,14,16H,2-3,7-8H2,1H3
InChIKeySTYOWKBLFIUAAR-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
CID 102731211
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63448629
N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
CID 103591737
1-N-(2-bicyclo[2.2.1]heptanyl)-4-ethylbenzene-1,3-diamine
CID 114245694
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
CID 61308992
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 62810365) is N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine is Cc1cc(NC2CC3CCC2C3)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is STYOWKBLFIUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-9-6-12(4-5-13(9)15)16-14-8-10-2-3-11(14)7-10/h4-6,10-11,14,16H,2-3,7-8H2,1H3.
What are the key properties of N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 219.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 62810365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).