[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol

C14H17ClFNO2 — CID 114489214

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol
SMILESNCC1(C(O)c2cccc(Cl)c2F)CC2CCC1O2
InChIInChI=1S/C14H17ClFNO2/c15-10-3-1-2-9(12(10)16)13(18)14(7-17)6-8-4-5-11(14)19-8/h1-3,8,11,13,18H,4-7,17H2
InChIKeyUYMIKCFMUUJZDU-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.41
Rot. Bonds3

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol (PubChem CID 114489214) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol
PubChem CID114489214
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol
SMILESNCC1(C(O)c2cccc(Cl)c2F)CC2CCC1O2
InChIInChI=1S/C14H17ClFNO2/c15-10-3-1-2-9(12(10)16)13(18)14(7-17)6-8-4-5-11(14)19-8/h1-3,8,11,13,18H,4-7,17H2
InChIKeyUYMIKCFMUUJZDU-UHFFFAOYSA-N
XLogP2.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(2-chloro-6-methoxyphenyl)methanol
CID 104819070
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(5-bromo-2-fluorophenyl)methanol
CID 79138626
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3,4-difluorophenyl)methanol
CID 79137859
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(5-chloro-1-methylimidazol-2-yl)methanol
CID 114239544
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
CID 65459936
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
CID 103573535
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(4-methylcyclohexyl)methanol
CID 79124646
methyl 2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-hydroxyacetate
CID 79124240
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol (CID 114489214) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol is NCC1(C(O)c2cccc(Cl)c2F)CC2CCC1O2.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol?
The InChIKey is UYMIKCFMUUJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-10-3-1-2-9(12(10)16)13(18)14(7-17)6-8-4-5-11(14)19-8/h1-3,8,11,13,18H,4-7,17H2.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol has a molecular weight of 285.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(3-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 114489214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).