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

C12H16FNO — CID 104772597

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
SMILESNCC(F)CC1CCOc2ccccc21
InChIInChI=1S/C12H16FNO/c13-10(8-14)7-9-5-6-15-12-4-2-1-3-11(9)12/h1-4,9-10H,5-8,14H2
InChIKeyZIYNVKBCODNOKF-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.24
Rot. Bonds3

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

3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine (PubChem CID 104772597) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
PubChem CID104772597
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
SMILESNCC(F)CC1CCOc2ccccc21
InChIInChI=1S/C12H16FNO/c13-10(8-14)7-9-5-6-15-12-4-2-1-3-11(9)12/h1-4,9-10H,5-8,14H2
InChIKeyZIYNVKBCODNOKF-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
CID 104772612
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103517069
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
2-(3,4-dihydro-2H-chromen-4-ylmethylsulfonyl)propan-1-amine
CID 113451579
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine (CID 104772597) is 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine is NCC(F)CC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine?
The InChIKey is ZIYNVKBCODNOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10(8-14)7-9-5-6-15-12-4-2-1-3-11(9)12/h1-4,9-10H,5-8,14H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine?
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 104772597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).