(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol

C18H21NO2 — CID 102613735

IUPAC(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H21NO2/c20-13-15(12-14-6-2-1-3-7-14)19-17-10-11-21-18-9-5-4-8-16(17)18/h1-9,15,17,19-20H,10-13H2/t15-,17?/m0/s1
InChIKeyMJVQHULLIPHVPG-MYJWUSKBSA-N
MW283.37 g/mol
LogP2.70
Rot. Bonds5

About (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol

(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol (PubChem CID 102613735) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
PubChem CID102613735
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1CCOc2ccccc21
InChIInChI=1S/C18H21NO2/c20-13-15(12-14-6-2-1-3-7-14)19-17-10-11-21-18-9-5-4-8-16(17)18/h1-9,15,17,19-20H,10-13H2/t15-,17?/m0/s1
InChIKeyMJVQHULLIPHVPG-MYJWUSKBSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
(2S)-2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 102613765
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 104926175
N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43724272
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
CID 43723838
3-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropanenitrile
CID 62779889
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol (CID 102613735) is (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)NC1CCOc2ccccc21.
What is the InChIKey of (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol?
The InChIKey is MJVQHULLIPHVPG-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H21NO2/c20-13-15(12-14-6-2-1-3-7-14)19-17-10-11-21-18-9-5-4-8-16(17)18/h1-9,15,17,19-20H,10-13H2/t15-,17?/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol?
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102613735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).