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

C16H17NO2 — CID 104944729

IUPAC(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccccc1)C[C@H]2N
InChIInChI=1S/C16H17NO2/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15H,10,17H2,1H3/t14-,15?/m1/s1
InChIKeyVGWFTIXHEMPXFG-GICMACPYSA-N
MW255.32 g/mol
LogP3.22
Rot. Bonds2

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

(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944729) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944729
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccccc1)C[C@H]2N
InChIInChI=1S/C16H17NO2/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15H,10,17H2,1H3/t14-,15?/m1/s1
InChIKeyVGWFTIXHEMPXFG-GICMACPYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
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)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-2-(3-chloro-5-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944855
(4R)-2-(4-chloro-3-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944903
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine (CID 104944729) is (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(c1ccccc1)C[C@H]2N.
What is the InChIKey of (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VGWFTIXHEMPXFG-GICMACPYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15H,10,17H2,1H3/t14-,15?/m1/s1.
What are the key properties of (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).