N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine

C15H23FN2O — CID 82461639

IUPACN',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1CCOc2ccc(F)cc21
InChIInChI=1S/C15H23FN2O/c1-3-18(4-2)9-8-17-14-7-10-19-15-6-5-12(16)11-13(14)15/h5-6,11,14,17H,3-4,7-10H2,1-2H3
InChIKeyLRVGAKFAGZVNOE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.58
Rot. Bonds6

About N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine (PubChem CID 82461639) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
PubChem CID82461639
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1CCOc2ccc(F)cc21
InChIInChI=1S/C15H23FN2O/c1-3-18(4-2)9-8-17-14-7-10-19-15-6-5-12(16)11-13(14)15/h5-6,11,14,17H,3-4,7-10H2,1-2H3
InChIKeyLRVGAKFAGZVNOE-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461432
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461638
6-fluoro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461660
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
(4R)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 124699924
N',N'-diethyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461385
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine (CID 82461639) is N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine is CCN(CC)CCNC1CCOc2ccc(F)cc21.
What is the InChIKey of N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
The InChIKey is LRVGAKFAGZVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18(4-2)9-8-17-14-7-10-19-15-6-5-12(16)11-13(14)15/h5-6,11,14,17H,3-4,7-10H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82461639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).