2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H15ClFNO2 — CID 114708873

IUPAC2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1cccc(Cl)c1F)CC2N
InChIInChI=1S/C16H15ClFNO2/c1-20-9-5-6-10-13(19)8-15(21-14(10)7-9)11-3-2-4-12(17)16(11)18/h2-7,13,15H,8,19H2,1H3
InChIKeyXOZBDBZSMYAIFD-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.01
Rot. Bonds2

About 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708873) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708873
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1cccc(Cl)c1F)CC2N
InChIInChI=1S/C16H15ClFNO2/c1-20-9-5-6-10-13(19)8-15(21-14(10)7-9)11-3-2-4-12(17)16(11)18/h2-7,13,15H,8,19H2,1H3
InChIKeyXOZBDBZSMYAIFD-UHFFFAOYSA-N
XLogP4.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
(4R)-2-(4-chloro-3-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944903
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4R)-2-(3-chloro-5-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944855
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865
(4R)-2-(2,3-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947901
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114708873) is 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(c1cccc(Cl)c1F)CC2N.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XOZBDBZSMYAIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-20-9-5-6-10-13(19)8-15(21-14(10)7-9)11-3-2-4-12(17)16(11)18/h2-7,13,15H,8,19H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 307.75 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).