2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine

C16H22FN — CID 79557851

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CC3CCC2C3)cc1F
InChIInChI=1S/C16H22FN/c1-10-2-4-13(8-15(10)17)16(18)9-14-7-11-3-5-12(14)6-11/h2,4,8,11-12,14,16H,3,5-7,9,18H2,1H3
InChIKeySBKXFQBEOOAUIX-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.96
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 79557851) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID79557851
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CC3CCC2C3)cc1F
InChIInChI=1S/C16H22FN/c1-10-2-4-13(8-15(10)17)16(18)9-14-7-11-3-5-12(14)6-11/h2,4,8,11-12,14,16H,3,5-7,9,18H2,1H3
InChIKeySBKXFQBEOOAUIX-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43104194
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 43297160
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine (CID 79557851) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)CC2CC3CCC2C3)cc1F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is SBKXFQBEOOAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-10-2-4-13(8-15(10)17)16(18)9-14-7-11-3-5-12(14)6-11/h2,4,8,11-12,14,16H,3,5-7,9,18H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 79557851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).