(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine

C28H29NO — CID 10408396

IUPAC(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine
SMILESC[C@@H]([C@@H](OCc1ccccc1)c1ccccc1)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C28H29NO/c1-22(29(2)20-26-18-11-17-24-14-9-10-19-27(24)26)28(25-15-7-4-8-16-25)30-21-23-12-5-3-6-13-23/h3-19,22,28H,20-21H2,1-2H3/t22-,28+/m0/s1
InChIKeyCNOUZBGCINLYKR-RBISFHTESA-N
MW395.55 g/mol
LogP6.62
Rot. Bonds8

About (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine

(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine (PubChem CID 10408396) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine
PubChem CID10408396
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine
SMILESC[C@@H]([C@@H](OCc1ccccc1)c1ccccc1)N(C)Cc1cccc2ccccc12
InChIInChI=1S/C28H29NO/c1-22(29(2)20-26-18-11-17-24-14-9-10-19-27(24)26)28(25-15-7-4-8-16-25)30-21-23-12-5-3-6-13-23/h3-19,22,28H,20-21H2,1-2H3/t22-,28+/m0/s1
InChIKeyCNOUZBGCINLYKR-RBISFHTESA-N
XLogP6.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
1-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)propan-2-amine
CID 2845235
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine
CID 69271191
(2R,3S)-N-methyl-3-naphthalen-1-yloxy-3-phenyl-2-phenylmethoxypropan-1-amine;hydrochloride
CID 10455572
N,N-dimethyl-4-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]aniline
CID 164669352
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
N-[(1R,2S)-1,2-diphenyl-2-phenylmethoxyethyl]propan-2-amine
CID 15722769
1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
CID 19893363
1-[(1R,2R)-2-methyl-1-phenylmethoxybut-3-enyl]-4-phenylbenzene
CID 164669353
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine?
The IUPAC name of (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine (CID 10408396) is (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine.
What is the SMILES notation for (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine?
The canonical SMILES for (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine is C[C@@H]([C@@H](OCc1ccccc1)c1ccccc1)N(C)Cc1cccc2ccccc12.
What is the InChIKey of (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine?
The InChIKey is CNOUZBGCINLYKR-RBISFHTESA-N. The full InChI is InChI=1S/C28H29NO/c1-22(29(2)20-26-18-11-17-24-14-9-10-19-27(24)26)28(25-15-7-4-8-16-25)30-21-23-12-5-3-6-13-23/h3-19,22,28H,20-21H2,1-2H3/t22-,28+/m0/s1.
What are the key properties of (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine?
(1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine has a molecular weight of 395.55 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N-methyl-N-(naphthalen-1-ylmethyl)-1-phenyl-1-phenylmethoxypropan-2-amine is sourced from PubChem (CID 10408396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).