4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol

C15H21FN2O — CID 82545534

IUPAC4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
SMILESNCC1c2cc(F)ccc2CN1C1CCC(O)CC1
InChIInChI=1S/C15H21FN2O/c16-11-2-1-10-9-18(15(8-17)14(10)7-11)12-3-5-13(19)6-4-12/h1-2,7,12-13,15,19H,3-6,8-9,17H2
InChIKeyNXWZDTNSFRJEDJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.94
Rot. Bonds2

About 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol

4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol (PubChem CID 82545534) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
PubChem CID82545534
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
SMILESNCC1c2cc(F)ccc2CN1C1CCC(O)CC1
InChIInChI=1S/C15H21FN2O/c16-11-2-1-10-9-18(15(8-17)14(10)7-11)12-3-5-13(19)6-4-12/h1-2,7,12-13,15,19H,3-6,8-9,17H2
InChIKeyNXWZDTNSFRJEDJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol (CID 82545534) is 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol is NCC1c2cc(F)ccc2CN1C1CCC(O)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
The InChIKey is NXWZDTNSFRJEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-11-2-1-10-9-18(15(8-17)14(10)7-11)12-3-5-13(19)6-4-12/h1-2,7,12-13,15,19H,3-6,8-9,17H2.
What are the key properties of 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol?
4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol has a molecular weight of 264.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 82545534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).