(2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine

C21H23NO — CID 68769963

IUPAC(2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](OC)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22-15-20(21(23-2)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-22H,15H2,1-2H3/t20-,21-/m1/s1
InChIKeyNEWPRFWUSPHJOT-NHCUHLMSSA-N
MW305.42 g/mol
LogP4.53
Rot. Bonds6

About (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine

(2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (PubChem CID 68769963) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
PubChem CID68769963
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
SMILESCNC[C@H](c1ccc2ccccc2c1)[C@H](OC)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22-15-20(21(23-2)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-22H,15H2,1-2H3/t20-,21-/m1/s1
InChIKeyNEWPRFWUSPHJOT-NHCUHLMSSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
Litoxetine
CID 65650
2-(Aminomethyl)-5-(2''-naphthyl)tetrahydrofuran
CID 11637187
(S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
CID 44592118
(R)-3-(naphthalen-2-ylmethoxy)pyrrolidine
CID 44592119
(R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)methoxy)-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propan-2-ol
CID 9910748
(2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)-3-(1-m-tolylethoxy)propan-2-ol
CID 10111057
(2R)-1-(cyclopropyl(phenyl)methoxy)-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propan-2-ol
CID 10135815
(2R)-1-[cyclopropyl-(2-methylphenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
CID 10180249
(2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)-3-(1-o-tolylethoxy)propan-2-ol
CID 10222076
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
(R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propan-2-ol
CID 46871629

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The IUPAC name of (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine (CID 68769963) is (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine.
What is the SMILES notation for (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The canonical SMILES for (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is CNC[C@H](c1ccc2ccccc2c1)[C@H](OC)c1ccccc1.
What is the InChIKey of (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
The InChIKey is NEWPRFWUSPHJOT-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H23NO/c1-22-15-20(21(23-2)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20-22H,15H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine?
(2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine is sourced from PubChem (CID 68769963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).