(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine

C20H33NO — CID 167018874

IUPAC(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCCCC[C@]1(C)c2cc(OC)ccc2C[C@H](CC)[C@@H]1N(C)C
InChIInChI=1S/C20H33NO/c1-7-9-12-20(3)18-14-17(22-6)11-10-16(18)13-15(8-2)19(20)21(4)5/h10-11,14-15,19H,7-9,12-13H2,1-6H3/t15-,19-,20+/m0/s1
InChIKeyRLUIVFUOPHBXFZ-RYGJVYDSSA-N
MW303.49 g/mol
LogP4.66
Rot. Bonds6

About (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine

(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine (PubChem CID 167018874) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine.

Molecular Properties

Compound Name(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
PubChem CID167018874
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCCCC[C@]1(C)c2cc(OC)ccc2C[C@H](CC)[C@@H]1N(C)C
InChIInChI=1S/C20H33NO/c1-7-9-12-20(3)18-14-17(22-6)11-10-16(18)13-15(8-2)19(20)21(4)5/h10-11,14-15,19H,7-9,12-13H2,1-6H3/t15-,19-,20+/m0/s1
InChIKeyRLUIVFUOPHBXFZ-RYGJVYDSSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
The IUPAC name of (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine (CID 167018874) is (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine.
What is the SMILES notation for (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
The canonical SMILES for (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine is CCCC[C@]1(C)c2cc(OC)ccc2C[C@H](CC)[C@@H]1N(C)C.
What is the InChIKey of (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
The InChIKey is RLUIVFUOPHBXFZ-RYGJVYDSSA-N. The full InChI is InChI=1S/C20H33NO/c1-7-9-12-20(3)18-14-17(22-6)11-10-16(18)13-15(8-2)19(20)21(4)5/h10-11,14-15,19H,7-9,12-13H2,1-6H3/t15-,19-,20+/m0/s1.
What are the key properties of (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
(1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine has a molecular weight of 303.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-1-butyl-3-ethyl-7-methoxy-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine is sourced from PubChem (CID 167018874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).