1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine

C16H21F2N — CID 43312604

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H21F2N/c1-10(15-7-11-2-3-12(15)6-11)19-9-13-8-14(17)4-5-16(13)18/h4-5,8,10-12,15,19H,2-3,6-7,9H2,1H3
InChIKeyWWIPZTGBRLVYCA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.88
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 43312604) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
PubChem CID43312604
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)ccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H21F2N/c1-10(15-7-11-2-3-12(15)6-11)19-9-13-8-14(17)4-5-16(13)18/h4-5,8,10-12,15,19H,2-3,6-7,9H2,1H3
InChIKeyWWIPZTGBRLVYCA-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 43100719
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-4-chlorophenol
CID 43095886
(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714622
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 129428935
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663515
(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 98305321

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (CID 43312604) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is CC(NCc1cc(F)ccc1F)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is WWIPZTGBRLVYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-10(15-7-11-2-3-12(15)6-11)19-9-13-8-14(17)4-5-16(13)18/h4-5,8,10-12,15,19H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43312604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).