4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine

C13H18FNO — CID 104772612

IUPAC4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
SMILESNCCC(F)CC1CCOc2ccccc21
InChIInChI=1S/C13H18FNO/c14-11(5-7-15)9-10-6-8-16-13-4-2-1-3-12(10)13/h1-4,10-11H,5-9,15H2
InChIKeyGSYXALZOFRBVCJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.63
Rot. Bonds4

About 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine

4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine (PubChem CID 104772612) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
PubChem CID104772612
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
SMILESNCCC(F)CC1CCOc2ccccc21
InChIInChI=1S/C13H18FNO/c14-11(5-7-15)9-10-6-8-16-13-4-2-1-3-12(10)13/h1-4,10-11H,5-9,15H2
InChIKeyGSYXALZOFRBVCJ-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-(3,4-dihydro-2H-chromen-4-yl)-1-iodobutan-1-amine
CID 118889673
1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 114886029
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine (CID 104772612) is 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine is NCCC(F)CC1CCOc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine?
The InChIKey is GSYXALZOFRBVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-11(5-7-15)9-10-6-8-16-13-4-2-1-3-12(10)13/h1-4,10-11H,5-9,15H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine?
4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine is sourced from PubChem (CID 104772612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).