(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C14H16FN3O — CID 124699924

IUPAC(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCn1cncc1CN[C@@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C14H16FN3O/c1-18-9-16-7-11(18)8-17-13-4-5-19-14-3-2-10(15)6-12(13)14/h2-3,6-7,9,13,17H,4-5,8H2,1H3/t13-/m1/s1
InChIKeyGNHRNPSADCAJSZ-CYBMUJFWSA-N
MW261.30 g/mol
LogP2.17
Rot. Bonds3

About (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 124699924) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID124699924
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCn1cncc1CN[C@@H]1CCOc2ccc(F)cc21
InChIInChI=1S/C14H16FN3O/c1-18-9-16-7-11(18)8-17-13-4-5-19-14-3-2-10(15)6-12(13)14/h2-3,6-7,9,13,17H,4-5,8H2,1H3/t13-/m1/s1
InChIKeyGNHRNPSADCAJSZ-CYBMUJFWSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 138032353
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
(4S)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 124559424
3-[[[(4R)-6-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 99828366
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 66161723
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559
6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461638
(5S)-7-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 52537720
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
CID 166200780

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 124699924) is (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cn1cncc1CN[C@@H]1CCOc2ccc(F)cc21.
What is the InChIKey of (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GNHRNPSADCAJSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18-9-16-7-11(18)8-17-13-4-5-19-14-3-2-10(15)6-12(13)14/h2-3,6-7,9,13,17H,4-5,8H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 124699924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).