(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride

C27H28ClNO2 — CID 10455572

IUPAC(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride
SMILESCNC[C@@H](OCc1ccccc1)[C@@H](Oc1cccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C27H27NO2.ClH/c1-28-19-26(29-20-21-11-4-2-5-12-21)27(23-14-6-3-7-15-23)30-25-18-10-16-22-13-8-9-17-24(22)25;/h2-18,26-28H,19-20H2,1H3;1H/t26-,27+;/m1./s1
InChIKeyKJGWGWPNIZBZKV-OUPRKWGVSA-N
MW433.98 g/mol
LogP6.19
Rot. Bonds9

About (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride

(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride (PubChem CID 10455572) has the molecular formula C27H28ClNO2 and a molecular weight of 433.98 g/mol. Its IUPAC name is (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride
PubChem CID10455572
Molecular FormulaC27H28ClNO2
Molecular Weight433.98 g/mol
Exact Mass433.18
IUPAC Name(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride
SMILESCNC[C@@H](OCc1ccccc1)[C@@H](Oc1cccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C27H27NO2.ClH/c1-28-19-26(29-20-21-11-4-2-5-12-21)27(23-14-6-3-7-15-23)30-25-18-10-16-22-13-8-9-17-24(22)25;/h2-18,26-28H,19-20H2,1H3;1H/t26-,27+;/m1./s1
InChIKeyKJGWGWPNIZBZKV-OUPRKWGVSA-N
XLogP6.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.98
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine
CID 69271191
(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride
CID 69274127
3-(2-ethoxyphenoxy)-2-methoxy-N-methyl-3-phenylpropan-1-amine
CID 23458367
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745
(2S,3R)-3-(1-benzothiophen-4-yloxy)-2-fluoro-N-methyl-3-phenylpropan-1-amine
CID 58685509
(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
(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine
CID 10408396
2-hydroxy-3-naphthalen-1-yloxy-3-phenyl-N-propan-2-ylpropanamide
CID 13041345
methylamino(naphthalen-1-yloxy)methanol
CID 173197602
(1S,2R)-3-(methylamino)-1-phenyl-1-(4-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69456550
1-[ethoxy(methoxy)methoxy]naphthalene
CID 173038488

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride?
The IUPAC name of (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride (CID 10455572) is (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride.
What is the SMILES notation for (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride?
The canonical SMILES for (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride is CNC[C@@H](OCc1ccccc1)[C@@H](Oc1cccc2ccccc12)c1ccccc1.Cl.
What is the InChIKey of (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride?
The InChIKey is KJGWGWPNIZBZKV-OUPRKWGVSA-N. The full InChI is InChI=1S/C27H27NO2.ClH/c1-28-19-26(29-20-21-11-4-2-5-12-21)27(23-14-6-3-7-15-23)30-25-18-10-16-22-13-8-9-17-24(22)25;/h2-18,26-28H,19-20H2,1H3;1H/t26-,27+;/m1./s1.
What are the key properties of (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride?
(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 10455572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).