(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H15F2NO2 — CID 104944865

IUPAC(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccc(F)c(F)c1)C[C@H]2N
InChIInChI=1S/C16H15F2NO2/c1-20-10-3-4-11-14(19)8-15(21-16(11)7-10)9-2-5-12(17)13(18)6-9/h2-7,14-15H,8,19H2,1H3/t14-,15?/m1/s1
InChIKeyHPCXRDSEKBQWBH-GICMACPYSA-N
MW291.30 g/mol
LogP3.50
Rot. Bonds2

About (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944865) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944865
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccc(F)c(F)c1)C[C@H]2N
InChIInChI=1S/C16H15F2NO2/c1-20-10-3-4-11-14(19)8-15(21-16(11)7-10)9-2-5-12(17)13(18)6-9/h2-7,14-15H,8,19H2,1H3/t14-,15?/m1/s1
InChIKeyHPCXRDSEKBQWBH-GICMACPYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-2-(4-chloro-3-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944903
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
(4R)-2-(3-chloro-5-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944855
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947108
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104944865) is (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(c1ccc(F)c(F)c1)C[C@H]2N.
What is the InChIKey of (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HPCXRDSEKBQWBH-GICMACPYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-20-10-3-4-11-14(19)8-15(21-16(11)7-10)9-2-5-12(17)13(18)6-9/h2-7,14-15H,8,19H2,1H3/t14-,15?/m1/s1.
What are the key properties of (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 291.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).