(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine

C18H19N — CID 132821699

IUPAC(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine
SMILESCc1cc2c(cc1C)[C@H](N)[C@H](c1ccccc1)C=C2
InChIInChI=1S/C18H19N/c1-12-10-15-8-9-16(14-6-4-3-5-7-14)18(19)17(15)11-13(12)2/h3-11,16,18H,19H2,1-2H3/t16-,18+/m0/s1
InChIKeyPEGOFEODSFNHRM-FUHWJXTLSA-N
MW249.36 g/mol
LogP4.11
Rot. Bonds1

About (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine

(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine (PubChem CID 132821699) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine
PubChem CID132821699
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine
SMILESCc1cc2c(cc1C)[C@H](N)[C@H](c1ccccc1)C=C2
InChIInChI=1S/C18H19N/c1-12-10-15-8-9-16(14-6-4-3-5-7-14)18(19)17(15)11-13(12)2/h3-11,16,18H,19H2,1-2H3/t16-,18+/m0/s1
InChIKeyPEGOFEODSFNHRM-FUHWJXTLSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine?
The IUPAC name of (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine (CID 132821699) is (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine.
What is the SMILES notation for (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine?
The canonical SMILES for (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine is Cc1cc2c(cc1C)[C@H](N)[C@H](c1ccccc1)C=C2.
What is the InChIKey of (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine?
The InChIKey is PEGOFEODSFNHRM-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19N/c1-12-10-15-8-9-16(14-6-4-3-5-7-14)18(19)17(15)11-13(12)2/h3-11,16,18H,19H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine?
(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine has a molecular weight of 249.36 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine is sourced from PubChem (CID 132821699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).