(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol

C19H21NO — CID 134960838

IUPAC(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol
SMILESCc1cc(N(C)C)ccc1[C@H]1C=Cc2ccccc2[C@@H]1O
InChIInChI=1S/C19H21NO/c1-13-12-15(20(2)3)9-11-16(13)18-10-8-14-6-4-5-7-17(14)19(18)21/h4-12,18-19,21H,1-3H3/t18-,19+/m1/s1
InChIKeyJNTHZCJOMILLMF-MOPGFXCFSA-N
MW279.38 g/mol
LogP3.91
Rot. Bonds2

About (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol

(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol (PubChem CID 134960838) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol
PubChem CID134960838
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol
SMILESCc1cc(N(C)C)ccc1[C@H]1C=Cc2ccccc2[C@@H]1O
InChIInChI=1S/C19H21NO/c1-13-12-15(20(2)3)9-11-16(13)18-10-8-14-6-4-5-7-17(14)19(18)21/h4-12,18-19,21H,1-3H3/t18-,19+/m1/s1
InChIKeyJNTHZCJOMILLMF-MOPGFXCFSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol
CID 132579451
(1S,2R)-2-(3-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 11807312
(1S,2R)-2-(3-methoxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 15402081
(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 131848736
2-(4-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 174973723
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-6,7-dimethyl-2-(N-methylanilino)-1,2-dihydronaphthalen-1-ol
CID 132598538
4-[bis(1H-inden-1-yl)-methylsilyl]-N,N-dimethylaniline
CID 142712261
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
N,N,3,4-tetramethylaniline
CID 12595466
hydron;1H-inden-1-ol
CID 174812636
1H-isochromen-1-ol
CID 69025900

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol (CID 134960838) is (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol is Cc1cc(N(C)C)ccc1[C@H]1C=Cc2ccccc2[C@@H]1O.
What is the InChIKey of (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is JNTHZCJOMILLMF-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-12-15(20(2)3)9-11-16(13)18-10-8-14-6-4-5-7-17(14)19(18)21/h4-12,18-19,21H,1-3H3/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol?
(1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[4-(dimethylamino)-2-methylphenyl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 134960838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).