(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride

C20H21ClFNO — CID 69274127

IUPAC(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride
SMILESCNC[C@@H](F)[C@H](Oc1cccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C20H20FNO.ClH/c1-22-14-18(21)20(16-9-3-2-4-10-16)23-19-13-7-11-15-8-5-6-12-17(15)19;/h2-13,18,20,22H,14H2,1H3;1H/t18-,20-;/m1./s1
InChIKeyAUJONVDYRKKYGR-OVAHNPOGSA-N
MW345.85 g/mol
LogP4.94
Rot. Bonds6

About (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride

(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride (PubChem CID 69274127) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride
PubChem CID69274127
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride
SMILESCNC[C@@H](F)[C@H](Oc1cccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C20H20FNO.ClH/c1-22-14-18(21)20(16-9-3-2-4-10-16)23-19-13-7-11-15-8-5-6-12-17(15)19;/h2-13,18,20,22H,14H2,1H3;1H/t18-,20-;/m1./s1
InChIKeyAUJONVDYRKKYGR-OVAHNPOGSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-(1-benzothiophen-4-yloxy)-2-fluoro-N-methyl-3-phenylpropan-1-amine
CID 58685509
(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride
CID 10455572
N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine
CID 69271191
(1S,2R)-1-(1-benzothiophen-7-yloxy)-3-(methylamino)-1-phenylpropan-2-ol
CID 58685501
(1S,2R)-1-(1-benzothiophen-4-yloxy)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 69274798
2-hydroxy-3-naphthalen-1-yloxy-3-phenyl-N-propan-2-ylpropanamide
CID 13041345
methylamino(naphthalen-1-yloxy)methanol
CID 173197602
(2R,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
CID 58685553
(2S,3S)-3-(1-benzofuran-7-yloxy)-2-fluoro-N,N-dimethyl-3-phenylpropan-1-amine
CID 58685558
1-bromo-N,N-dimethyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine
CID 54238821
3-(2-ethoxyphenoxy)-2-methoxy-N-methyl-3-phenylpropan-1-amine
CID 23458367
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride (CID 69274127) is (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride is CNC[C@@H](F)[C@H](Oc1cccc2ccccc12)c1ccccc1.Cl.
What is the InChIKey of (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is AUJONVDYRKKYGR-OVAHNPOGSA-N. The full InChI is InChI=1S/C20H20FNO.ClH/c1-22-14-18(21)20(16-9-3-2-4-10-16)23-19-13-7-11-15-8-5-6-12-17(15)19;/h2-13,18,20,22H,14H2,1H3;1H/t18-,20-;/m1./s1.
What are the key properties of (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride?
(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 69274127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).