3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol

C19H22FNO2 — CID 166798745

IUPAC3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol
SMILESOC(CCNCc1ccccc1)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C19H22FNO2/c20-16-7-9-18-15(12-16)6-8-19(23-18)17(22)10-11-21-13-14-4-2-1-3-5-14/h1-5,7,9,12,17,19,21-22H,6,8,10-11,13H2
InChIKeyHFCIXZHLYWUYNU-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.06
Rot. Bonds6

About 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol

3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol (PubChem CID 166798745) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol
PubChem CID166798745
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol
SMILESOC(CCNCc1ccccc1)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C19H22FNO2/c20-16-7-9-18-15(12-16)6-8-19(23-18)17(22)10-11-21-13-14-4-2-1-3-5-14/h1-5,7,9,12,17,19,21-22H,6,8,10-11,13H2
InChIKeyHFCIXZHLYWUYNU-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 67337423
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol
CID 158119819
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
CID 58409721
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
CID 161067218
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
CID 11626384
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);sulfane
CID 169428735
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol;oxalic acid
CID 54759293
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);methane;hydrochloride;hydroiodide
CID 159463823
lithium tetrakis[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]alumanuide
CID 16689382

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol?
The IUPAC name of 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol (CID 166798745) is 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol?
The canonical SMILES for 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol is OC(CCNCc1ccccc1)C1CCc2cc(F)ccc2O1.
What is the InChIKey of 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol?
The InChIKey is HFCIXZHLYWUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c20-16-7-9-18-15(12-16)6-8-19(23-18)17(22)10-11-21-13-14-4-2-1-3-5-14/h1-5,7,9,12,17,19,21-22H,6,8,10-11,13H2.
What are the key properties of 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol?
3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol has a molecular weight of 315.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)propan-1-ol is sourced from PubChem (CID 166798745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).