(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine

C30H33NO2 — CID 152608744

IUPAC(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine
SMILESCN(C)[C@@H](CCO[C@H](CCOc1cccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO2/c1-31(2)28(25-13-5-3-6-14-25)20-22-32-29(26-15-7-4-8-16-26)21-23-33-30-19-11-17-24-12-9-10-18-27(24)30/h3-19,28-29H,20-23H2,1-2H3/t28-,29+/m0/s1
InChIKeyYZBIEXXNKZGBLQ-URLMMPGGSA-N
MW439.60 g/mol
LogP7.06
Rot. Bonds11

About (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine

(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine (PubChem CID 152608744) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine
PubChem CID152608744
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine
SMILESCN(C)[C@@H](CCO[C@H](CCOc1cccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO2/c1-31(2)28(25-13-5-3-6-14-25)20-22-32-29(26-15-7-4-8-16-26)21-23-33-30-19-11-17-24-12-9-10-18-27(24)30/h3-19,28-29H,20-23H2,1-2H3/t28-,29+/m0/s1
InChIKeyYZBIEXXNKZGBLQ-URLMMPGGSA-N
XLogP7.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine with MolForge

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Related Compounds

bis(2-aminoethanol);(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;sulfate
CID 53233761
4-(4-aminophenyl)sulfonylaniline;(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;hydrochloride
CID 156579759
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;sulfate
CID 53233661
N,N-dimethyl-1-phenyl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
CID 19884956
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
CID 126483479
1-(4-methylpentoxy)naphthalene
CID 83168126
ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
CID 173469906
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
CID 2183627
1-butoxynaphthalene
CID 13262700
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine?
The IUPAC name of (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine (CID 152608744) is (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine.
What is the SMILES notation for (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine?
The canonical SMILES for (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine is CN(C)[C@@H](CCO[C@H](CCOc1cccc2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine?
The InChIKey is YZBIEXXNKZGBLQ-URLMMPGGSA-N. The full InChI is InChI=1S/C30H33NO2/c1-31(2)28(25-13-5-3-6-14-25)20-22-32-29(26-15-7-4-8-16-26)21-23-33-30-19-11-17-24-12-9-10-18-27(24)30/h3-19,28-29H,20-23H2,1-2H3/t28-,29+/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine?
(1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine has a molecular weight of 439.60 g/mol, XLogP of 7.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-3-[(1R)-3-naphthalen-1-yloxy-1-phenylpropoxy]-1-phenylpropan-1-amine is sourced from PubChem (CID 152608744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).