(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine

C13H18FNO — CID 104947717

IUPAC(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC1C[C@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C13H18FNO/c1-8(2)5-10-7-12(15)11-4-3-9(14)6-13(11)16-10/h3-4,6,8,10,12H,5,7,15H2,1-2H3/t10?,12-/m0/s1
InChIKeyYBAZILYVVXQXTB-KFJBMODSSA-N
MW223.29 g/mol
LogP3.02
Rot. Bonds2

About (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine

(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947717) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947717
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC1C[C@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C13H18FNO/c1-8(2)5-10-7-12(15)11-4-3-9(14)6-13(11)16-10/h3-4,6,8,10,12H,5,7,15H2,1-2H3/t10?,12-/m0/s1
InChIKeyYBAZILYVVXQXTB-KFJBMODSSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945971
(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947818
(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
CID 104947821
(4S)-2-butan-2-yl-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947666
6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709040
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
(4S)-7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951956
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710334

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947717) is (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)CC1C[C@H](N)c2ccc(F)cc2O1.
What is the InChIKey of (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YBAZILYVVXQXTB-KFJBMODSSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8(2)5-10-7-12(15)11-4-3-9(14)6-13(11)16-10/h3-4,6,8,10,12H,5,7,15H2,1-2H3/t10?,12-/m0/s1.
What are the key properties of (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 223.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).