(3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol

C18H26FNO2 — CID 54124021

IUPAC(3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
SMILESCCCN(C1CCCCC1)[C@H]1COc2c(F)ccc(O)c2C1
InChIInChI=1S/C18H26FNO2/c1-2-10-20(13-6-4-3-5-7-13)14-11-15-17(21)9-8-16(19)18(15)22-12-14/h8-9,13-14,21H,2-7,10-12H2,1H3/t14-/m1/s1
InChIKeyNPSBNHAUOJEWLG-CQSZACIVSA-N
MW307.41 g/mol
LogP3.88
Rot. Bonds4

About (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol

(3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol (PubChem CID 54124021) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name(3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
PubChem CID54124021
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name(3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
SMILESCCCN(C1CCCCC1)[C@H]1COc2c(F)ccc(O)c2C1
InChIInChI=1S/C18H26FNO2/c1-2-10-20(13-6-4-3-5-7-13)14-11-15-17(21)9-8-16(19)18(15)22-12-14/h8-9,13-14,21H,2-7,10-12H2,1H3/t14-/m1/s1
InChIKeyNPSBNHAUOJEWLG-CQSZACIVSA-N
XLogP3.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol (CID 54124021) is (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol is CCCN(C1CCCCC1)[C@H]1COc2c(F)ccc(O)c2C1.
What is the InChIKey of (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is NPSBNHAUOJEWLG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-2-10-20(13-6-4-3-5-7-13)14-11-15-17(21)9-8-16(19)18(15)22-12-14/h8-9,13-14,21H,2-7,10-12H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
(3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 307.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[cyclohexyl(propyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 54124021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).