2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol

C17H23F2NO — CID 106506969

IUPAC2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(CO)(CC1CC2CCC1C2)c1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO/c18-15-5-14(6-16(19)7-15)17(9-20,10-21)8-13-4-11-1-2-12(13)3-11/h5-7,11-13,21H,1-4,8-10,20H2
InChIKeyJIKFIURZXKVTGT-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.98
Rot. Bonds5

About 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol

2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 106506969) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID106506969
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(CO)(CC1CC2CCC1C2)c1cc(F)cc(F)c1
InChIInChI=1S/C17H23F2NO/c18-15-5-14(6-16(19)7-15)17(9-20,10-21)8-13-4-11-1-2-12(13)3-11/h5-7,11-13,21H,1-4,8-10,20H2
InChIKeyJIKFIURZXKVTGT-UHFFFAOYSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol
CID 106508625
2-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]bicyclo[2.2.1]heptane
CID 79549764
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-(4-chlorophenyl)propane-1,3-diol
CID 79550111
3-[(1S)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropan-1-amine
CID 89222977
2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
CID 106506958
2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanethiol
CID 88533788
2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
CID 61496563
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
3-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 79561131
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197828
2-[2-chloro-2-(2,4,6-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63430426

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol (CID 106506969) is 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(CO)(CC1CC2CCC1C2)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is JIKFIURZXKVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c18-15-5-14(6-16(19)7-15)17(9-20,10-21)8-13-4-11-1-2-12(13)3-11/h5-7,11-13,21H,1-4,8-10,20H2.
What are the key properties of 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 295.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 106506969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).