2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine

C16H16FNO — CID 114708632

IUPAC2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(Cc2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C16H16FNO/c17-12-6-7-16-14(9-12)15(18)10-13(19-16)8-11-4-2-1-3-5-11/h1-7,9,13,15H,8,10,18H2
InChIKeyAZFFLKIYMCNZFJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.22
Rot. Bonds2

About 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine

2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708632) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708632
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(Cc2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C16H16FNO/c17-12-6-7-16-14(9-12)15(18)10-13(19-16)8-11-4-2-1-3-5-11/h1-7,9,13,15H,8,10,18H2
InChIKeyAZFFLKIYMCNZFJ-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104945286
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714064
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947818
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104944215
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 114708632) is 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine is NC1CC(Cc2ccccc2)Oc2ccc(F)cc21.
What is the InChIKey of 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AZFFLKIYMCNZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-12-6-7-16-14(9-12)15(18)10-13(19-16)8-11-4-2-1-3-5-11/h1-7,9,13,15H,8,10,18H2.
What are the key properties of 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 257.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).