(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol

C17H19NO2 — CID 103788750

IUPAC(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
SMILESOC[C@H](NC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-12-16(13-6-2-1-3-7-13)18-15-10-11-20-17-9-5-4-8-14(15)17/h1-9,15-16,18-19H,10-12H2/t15?,16-/m0/s1
InChIKeyFEQZEMNRYVXXDT-LYKKTTPLSA-N
MW269.34 g/mol
LogP2.83
Rot. Bonds4

About (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol

(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol (PubChem CID 103788750) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
PubChem CID103788750
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
SMILESOC[C@H](NC1CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-12-16(13-6-2-1-3-7-13)18-15-10-11-20-17-9-5-4-8-14(15)17/h1-9,15-16,18-19H,10-12H2/t15?,16-/m0/s1
InChIKeyFEQZEMNRYVXXDT-LYKKTTPLSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropanenitrile
CID 62779889
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
CID 102613735
N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43724272
(2R)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-phenylethanol
CID 103788778
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
CID 43723838
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine
CID 102402072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol (CID 103788750) is (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol is OC[C@H](NC1CCOc2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol?
The InChIKey is FEQZEMNRYVXXDT-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H19NO2/c19-12-16(13-6-2-1-3-7-13)18-15-10-11-20-17-9-5-4-8-14(15)17/h1-9,15-16,18-19H,10-12H2/t15?,16-/m0/s1.
What are the key properties of (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol?
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol has a molecular weight of 269.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol is sourced from PubChem (CID 103788750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).