(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol

C19H21NO — CID 132598538

IUPAC(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol
SMILESCc1cc2c(cc1C)[C@@H](O)[C@H](N(C)c1ccccc1)C=C2
InChIInChI=1S/C19H21NO/c1-13-11-15-9-10-18(19(21)17(15)12-14(13)2)20(3)16-7-5-4-6-8-16/h4-12,18-19,21H,1-3H3/t18-,19-/m1/s1
InChIKeyIUBFGXAVBWRILJ-RTBURBONSA-N
MW279.38 g/mol
LogP3.87
Rot. Bonds2

About (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol

(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol (PubChem CID 132598538) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol
PubChem CID132598538
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol
SMILESCc1cc2c(cc1C)[C@@H](O)[C@H](N(C)c1ccccc1)C=C2
InChIInChI=1S/C19H21NO/c1-13-11-15-9-10-18(19(21)17(15)12-14(13)2)20(3)16-7-5-4-6-8-16/h4-12,18-19,21H,1-3H3/t18-,19-/m1/s1
InChIKeyIUBFGXAVBWRILJ-RTBURBONSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5,6-dimethyl-1H-indene
CID 156638082
(1R,2S)-6,7-dimethyl-2-phenyl-1,2-dihydronaphthalen-1-amine
CID 132821699
(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol
CID 134960838
(1S,2S)-6,7-dimethoxy-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 132579460
(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 11474456
N,N-dimethylaniline;methanol
CID 143205399
(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 23621324
N,N-dimethylaniline
CID 70392672
(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol
CID 129387695
cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
CID 131014562
CID 69241188
CID 69241188
N,N-dimethylaniline;hydron
CID 174471199

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol (CID 132598538) is (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol is Cc1cc2c(cc1C)[C@@H](O)[C@H](N(C)c1ccccc1)C=C2.
What is the InChIKey of (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol?
The InChIKey is IUBFGXAVBWRILJ-RTBURBONSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-11-15-9-10-18(19(21)17(15)12-14(13)2)20(3)16-7-5-4-6-8-16/h4-12,18-19,21H,1-3H3/t18-,19-/m1/s1.
What are the key properties of (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol?
(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 132598538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).