(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21NO2 — CID 10446565

IUPAC(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cc2c(cc1OC)[C@H](c1ccccc1)C[C@@H](N)C2
InChIInChI=1S/C18H21NO2/c1-20-17-9-13-8-14(19)10-15(12-6-4-3-5-7-12)16(13)11-18(17)21-2/h3-7,9,11,14-15H,8,10,19H2,1-2H3/t14-,15-/m0/s1
InChIKeyPJYVTWYSUIBGGB-GJZGRUSLSA-N
MW283.37 g/mol
LogP3.11
Rot. Bonds3

About (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10446565) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10446565
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cc2c(cc1OC)[C@H](c1ccccc1)C[C@@H](N)C2
InChIInChI=1S/C18H21NO2/c1-20-17-9-13-8-14(19)10-15(12-6-4-3-5-7-12)16(13)11-18(17)21-2/h3-7,9,11,14-15H,8,10,19H2,1-2H3/t14-,15-/m0/s1
InChIKeyPJYVTWYSUIBGGB-GJZGRUSLSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
(5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
CID 11777130
(1R,3R)-3-azido-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene
CID 15657185
(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene
CID 129405533
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(Z)-but-2-enedioate;7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 20838253
(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 6921357
2,3-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 70537938
8-bromo-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12928531
(5S)-8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CID 102328393

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10446565) is (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cc2c(cc1OC)[C@H](c1ccccc1)C[C@@H](N)C2.
What is the InChIKey of (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PJYVTWYSUIBGGB-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-9-13-8-14(19)10-15(12-6-4-3-5-7-12)16(13)11-18(17)21-2/h3-7,9,11,14-15H,8,10,19H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 283.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10446565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).