(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H15ClFNO2 — CID 104947108

IUPAC(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(c1ccc(Cl)c(F)c1)O2
InChIInChI=1S/C16H15ClFNO2/c1-20-10-3-5-15-11(7-10)14(19)8-16(21-15)9-2-4-12(17)13(18)6-9/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1
InChIKeyYMJGSRNZIWTFLC-IURRXHLWSA-N
MW307.75 g/mol
LogP4.01
Rot. Bonds2

About (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947108) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947108
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(c1ccc(Cl)c(F)c1)O2
InChIInChI=1S/C16H15ClFNO2/c1-20-10-3-5-15-11(7-10)14(19)8-16(21-15)9-2-4-12(17)13(18)6-9/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1
InChIKeyYMJGSRNZIWTFLC-IURRXHLWSA-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-(4-chloro-3-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944903
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol
CID 104946997
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865
(4R)-2-(2,6-difluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947106
(4S)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404455
(4R)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404456
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945215
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104947108) is (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@H](N)CC(c1ccc(Cl)c(F)c1)O2.
What is the InChIKey of (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YMJGSRNZIWTFLC-IURRXHLWSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-20-10-3-5-15-11(7-10)14(19)8-16(21-15)9-2-4-12(17)13(18)6-9/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(4-chloro-3-fluorophenyl)-6-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 (4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).