(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine

C17H19NO — CID 104946152

IUPAC(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(c1ccccc1)C1C[C@@H](N)c2ccccc2O1
InChIInChI=1S/C17H19NO/c1-12(13-7-3-2-4-8-13)17-11-15(18)14-9-5-6-10-16(14)19-17/h2-10,12,15,17H,11,18H2,1H3/t12?,15-,17?/m1/s1
InChIKeyMISVSRCLENPXFK-YAJUMTOWSA-N
MW253.35 g/mol
LogP3.64
Rot. Bonds2

About (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946152) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946152
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(c1ccccc1)C1C[C@@H](N)c2ccccc2O1
InChIInChI=1S/C17H19NO/c1-12(13-7-3-2-4-8-13)17-11-15(18)14-9-5-6-10-16(14)19-17/h2-10,12,15,17H,11,18H2,1H3/t12?,15-,17?/m1/s1
InChIKeyMISVSRCLENPXFK-YAJUMTOWSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 104946152) is (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine is CC(c1ccccc1)C1C[C@@H](N)c2ccccc2O1.
What is the InChIKey of (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MISVSRCLENPXFK-YAJUMTOWSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(13-7-3-2-4-8-13)17-11-15(18)14-9-5-6-10-16(14)19-17/h2-10,12,15,17H,11,18H2,1H3/t12?,15-,17?/m1/s1.
What are the key properties of (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).