4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol

C15H20F2N2O — CID 82545102

IUPAC4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
SMILESNCC1c2c(F)cc(F)cc2CN1C1CCC(O)CC1
InChIInChI=1S/C15H20F2N2O/c16-10-5-9-8-19(11-1-3-12(20)4-2-11)14(7-18)15(9)13(17)6-10/h5-6,11-12,14,20H,1-4,7-8,18H2
InChIKeyKGPAXHWWIUXKCP-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.08
Rot. Bonds2

About 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol

4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol (PubChem CID 82545102) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
PubChem CID82545102
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
SMILESNCC1c2c(F)cc(F)cc2CN1C1CCC(O)CC1
InChIInChI=1S/C15H20F2N2O/c16-10-5-9-8-19(11-1-3-12(20)4-2-11)14(7-18)15(9)13(17)6-10/h5-6,11-12,14,20H,1-4,7-8,18H2
InChIKeyKGPAXHWWIUXKCP-UHFFFAOYSA-N
XLogP2.08
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol (CID 82545102) is 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol is NCC1c2c(F)cc(F)cc2CN1C1CCC(O)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The InChIKey is KGPAXHWWIUXKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-10-5-9-8-19(11-1-3-12(20)4-2-11)14(7-18)15(9)13(17)6-10/h5-6,11-12,14,20H,1-4,7-8,18H2.
What are the key properties of 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol has a molecular weight of 282.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 82545102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).