(3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine

C24H24FNO2 — CID 20640362

IUPAC(3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc(F)c2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CO2
InChIInChI=1S/C24H24FNO2/c1-27-23-13-12-22(25)24-21(23)14-20(17-28-24)26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3/t20-/m1/s1
InChIKeyXDCQIASFUYVSSQ-HXUWFJFHSA-N
MW377.46 g/mol
LogP4.84
Rot. Bonds6

About (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine

(3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 20640362) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID20640362
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name(3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc(F)c2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CO2
InChIInChI=1S/C24H24FNO2/c1-27-23-13-12-22(25)24-21(23)14-20(17-28-24)26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3/t20-/m1/s1
InChIKeyXDCQIASFUYVSSQ-HXUWFJFHSA-N
XLogP4.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-dibenzyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 18739701
N,N-dibenzyl-5-(5-fluoro-6-methoxy-3-pyridinyl)-3,4-dihydro-2H-chromen-3-amine
CID 140551723
[(3R)-3-(dipropylamino)-8-fluoro-3,4-dihydro-2H-chromen-5-yl] trifluoromethanesulfonate
CID 22853674
4-(dibenzylamino)oxolan-2-one
CID 70144747
8-(benzhydrylideneamino)-5-methoxy-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
CID 76565019
methyl (3S)-3-(dibenzylamino)-5-(2-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-8-carboxylate
CID 18739708
(3S)-N,N-dibenzyl-5-(6-fluoro-3-pyridinyl)-3,4-dihydro-2H-chromen-3-amine
CID 25114687
[(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-yl] carbamate
CID 70140889
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188689
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
(3S)-N,N-dibenzyl-5-pyridazin-4-yl-3,4-dihydro-2H-chromen-3-amine
CID 25115595
3-[ethyl-[4-(7-methoxy-1-benzofuran-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 69428548

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 20640362) is (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1ccc(F)c2c1C[C@@H](N(Cc1ccccc1)Cc1ccccc1)CO2.
What is the InChIKey of (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is XDCQIASFUYVSSQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-27-23-13-12-22(25)24-21(23)14-20(17-28-24)26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine?
(3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 377.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dibenzyl-8-fluoro-5-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 20640362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).