(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

C16H22FNO — CID 104947810

IUPAC(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCCC(C2C[C@@H](N)c3ccc(F)cc3O2)C1
InChIInChI=1S/C16H22FNO/c1-10-3-2-4-11(7-10)15-9-14(18)13-6-5-12(17)8-16(13)19-15/h5-6,8,10-11,14-15H,2-4,7,9,18H2,1H3/t10?,11?,14-,15?/m1/s1
InChIKeyNYHPDBZIFUPHBO-ULKLSYCYSA-N
MW263.36 g/mol
LogP3.80
Rot. Bonds1

About (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947810) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947810
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCCC(C2C[C@@H](N)c3ccc(F)cc3O2)C1
InChIInChI=1S/C16H22FNO/c1-10-3-2-4-11(7-10)15-9-14(18)13-6-5-12(17)8-16(13)19-15/h5-6,8,10-11,14-15H,2-4,7,9,18H2,1H3/t10?,11?,14-,15?/m1/s1
InChIKeyNYHPDBZIFUPHBO-ULKLSYCYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947805
7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710240
(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
CID 104945810
2-cyclopentyl-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715832
6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
CID 114672162
(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
CID 104945742
(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 104945493
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947810) is (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is CC1CCCC(C2C[C@@H](N)c3ccc(F)cc3O2)C1.
What is the InChIKey of (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NYHPDBZIFUPHBO-ULKLSYCYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-10-3-2-4-11(7-10)15-9-14(18)13-6-5-12(17)8-16(13)19-15/h5-6,8,10-11,14-15H,2-4,7,9,18H2,1H3/t10?,11?,14-,15?/m1/s1.
What are the key properties of (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).