2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol

C16H17FN2O2 — CID 167941938

IUPAC2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol
SMILESOC(CN[C@H]1CCOc2c(F)cccc21)c1ccccn1
InChIInChI=1S/C16H17FN2O2/c17-12-5-3-4-11-13(7-9-21-16(11)12)19-10-15(20)14-6-1-2-8-18-14/h1-6,8,13,15,19-20H,7,9-10H2/t13-,15?/m0/s1
InChIKeyPOAYYSSPHHTECZ-CFMCSPIPSA-N
MW288.32 g/mol
LogP2.37
Rot. Bonds4

About 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol

2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol (PubChem CID 167941938) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol
PubChem CID167941938
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol
SMILESOC(CN[C@H]1CCOc2c(F)cccc21)c1ccccn1
InChIInChI=1S/C16H17FN2O2/c17-12-5-3-4-11-13(7-9-21-16(11)12)19-10-15(20)14-6-1-2-8-18-14/h1-6,8,13,15,19-20H,7,9-10H2/t13-,15?/m0/s1
InChIKeyPOAYYSSPHHTECZ-CFMCSPIPSA-N
XLogP2.37
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol with MolForge

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Related Compounds

(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 166232718
8-ethyl-N-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461392
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
1-pyridin-2-ylethyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139328578
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
CID 89270556
4-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]butanoic acid
CID 122011176
3-ethyl-1-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pentan-2-ol
CID 103783046
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
7-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511838
9-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 104585119
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
CID 129320692

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol?
The IUPAC name of 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol (CID 167941938) is 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol is OC(CN[C@H]1CCOc2c(F)cccc21)c1ccccn1.
What is the InChIKey of 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol?
The InChIKey is POAYYSSPHHTECZ-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-5-3-4-11-13(7-9-21-16(11)12)19-10-15(20)14-6-1-2-8-18-14/h1-6,8,13,15,19-20H,7,9-10H2/t13-,15?/m0/s1.
What are the key properties of 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol?
2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol has a molecular weight of 288.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]amino]-1-pyridin-2-ylethanol is sourced from PubChem (CID 167941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).