2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

C17H18FNO — CID 114712565

IUPAC2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccccc2F)Oc2ccc(C)cc21
InChIInChI=1S/C17H18FNO/c1-11-7-8-16-13(9-11)15(19-2)10-17(20-16)12-5-3-4-6-14(12)18/h3-9,15,17,19H,10H2,1-2H3
InChIKeyWZLURQGZKVIZCO-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.92
Rot. Bonds2

About 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712565) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712565
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccccc2F)Oc2ccc(C)cc21
InChIInChI=1S/C17H18FNO/c1-11-7-8-16-13(9-11)15(19-2)10-17(20-16)12-5-3-4-6-14(12)18/h3-9,15,17,19H,10H2,1-2H3
InChIKeyWZLURQGZKVIZCO-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(2-chloro-6-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712531
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712078
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 114712565) is 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccccc2F)Oc2ccc(C)cc21.
What is the InChIKey of 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WZLURQGZKVIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-7-8-16-13(9-11)15(19-2)10-17(20-16)12-5-3-4-6-14(12)18/h3-9,15,17,19H,10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).