4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol

C11H14FNO2 — CID 112716526

IUPAC4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol
SMILESCC1COc2ccc(F)cc2C1(O)CN
InChIInChI=1S/C11H14FNO2/c1-7-5-15-10-3-2-8(12)4-9(10)11(7,14)6-13/h2-4,7,14H,5-6,13H2,1H3
InChIKeySWZDIYNQRZBXRE-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.00
Rot. Bonds1

About 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol

4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol (PubChem CID 112716526) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol
PubChem CID112716526
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol
SMILESCC1COc2ccc(F)cc2C1(O)CN
InChIInChI=1S/C11H14FNO2/c1-7-5-15-10-3-2-8(12)4-9(10)11(7,14)6-13/h2-4,7,14H,5-6,13H2,1H3
InChIKeySWZDIYNQRZBXRE-UHFFFAOYSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(2-methoxyphenyl)ethan-1-ol
CID 3871396
alpha-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
CID 11693600
(6-Methoxychroman-4-yl)methanamine
CID 12914876
3,4-dihydro-2H-1-benzopyran-4-ylmethanamine
CID 13362727
3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol
CID 130385268
4-Chromanol, 3-amino-, (E)-
CID 214670
4-Chromanol, 3-amino-, (Z)-
CID 214671
4-Chromanol, 3-ethylamino-, (E)
CID 3048930
4-(aminomethyl)-3,4-dihydro-2H-1-benzopyran-4-ol
CID 12914867
2-(3,4-dihydro-2H-1-benzopyran-4-yl)ethan-1-amine
CID 15114474
(1R)-2-amino-1-(2-methoxyphenyl)ethan-1-ol
CID 40425421
1-(2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl)methanamine
CID 69938036

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol (CID 112716526) is 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol is CC1COc2ccc(F)cc2C1(O)CN.
What is the InChIKey of 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol?
The InChIKey is SWZDIYNQRZBXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-5-15-10-3-2-8(12)4-9(10)11(7,14)6-13/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol?
4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol has a molecular weight of 211.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-fluoro-3-methyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 112716526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).