1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine

C16H21BrFN — CID 105020691

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1Br)CC1CC2CCC1C2
InChIInChI=1S/C16H21BrFN/c17-16-12(2-1-3-15(16)18)8-14(19)9-13-7-10-4-5-11(13)6-10/h1-3,10-11,13-14H,4-9,19H2
InChIKeyNZDPDPORVXYJTP-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.28
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine (PubChem CID 105020691) has the molecular formula C16H21BrFN and a molecular weight of 326.25 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
PubChem CID105020691
Molecular FormulaC16H21BrFN
Molecular Weight326.25 g/mol
Exact Mass325.08
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1Br)CC1CC2CCC1C2
InChIInChI=1S/C16H21BrFN/c17-16-12(2-1-3-15(16)18)8-14(19)9-13-7-10-4-5-11(13)6-10/h1-3,10-11,13-14H,4-9,19H2
InChIKeyNZDPDPORVXYJTP-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(5-bromo-2-fluorophenyl)propan-2-amine
CID 115839806
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanamine
CID 105020628
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-amine
CID 55223192
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-methylphenyl)butan-2-amine
CID 105167993
4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol
CID 65186189
2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
CID 79549846
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanol
CID 115826409
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105015334
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine (CID 105020691) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine is NC(Cc1cccc(F)c1Br)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine?
The InChIKey is NZDPDPORVXYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN/c17-16-12(2-1-3-15(16)18)8-14(19)9-13-7-10-4-5-11(13)6-10/h1-3,10-11,13-14H,4-9,19H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromo-3-fluorophenyl)propan-2-amine has a molecular weight of 326.25 g/mol, XLogP of 4.28, 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)-3-(2-bromo-3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 105020691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).