[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine

C13H16FNO — CID 117315960

IUPAC[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine
SMILESNCC1(c2c(F)ccc3c2OCCC3)CC1
InChIInChI=1S/C13H16FNO/c14-10-4-3-9-2-1-7-16-12(9)11(10)13(8-15)5-6-13/h3-4H,1-2,5-8,15H2
InChIKeyDAXKOFVKSMUOHL-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.14
Rot. Bonds2

About [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine

[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine (PubChem CID 117315960) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine
PubChem CID117315960
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine
SMILESNCC1(c2c(F)ccc3c2OCCC3)CC1
InChIInChI=1S/C13H16FNO/c14-10-4-3-9-2-1-7-16-12(9)11(10)13(8-15)5-6-13/h3-4H,1-2,5-8,15H2
InChIKeyDAXKOFVKSMUOHL-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclohexyl]methanamine
CID 117413291
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
2-amino-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanol
CID 117301278
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
8-bromo-7-fluoro-3,4-dihydro-2H-chromene
CID 155778553
7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931
(1R)-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 130845713
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]methanamine
CID 117293731
3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
CID 117297394
7-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 22404817

Frequently Asked Questions

What is the IUPAC name of [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine (CID 117315960) is [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine is NCC1(c2c(F)ccc3c2OCCC3)CC1.
What is the InChIKey of [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine?
The InChIKey is DAXKOFVKSMUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-10-4-3-9-2-1-7-16-12(9)11(10)13(8-15)5-6-13/h3-4H,1-2,5-8,15H2.
What are the key properties of [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine?
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine has a molecular weight of 221.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117315960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).