(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21NO — CID 24969453

IUPAC(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@H]1Cc2ccccc2[C@H](Oc2ccccc2C)C1
InChIInChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-12-15(19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyFDBFTQAPQQWDDD-MAUKXSAKSA-N
MW267.37 g/mol
LogP3.65
Rot. Bonds3

About (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine

(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 24969453) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID24969453
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN[C@H]1Cc2ccccc2[C@H](Oc2ccccc2C)C1
InChIInChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-12-15(19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyFDBFTQAPQQWDDD-MAUKXSAKSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
N-methyl-1-[(3S,4R)-4-(2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]methanamine
CID 44587484
ethanol;[1-(2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 143367533
(1R,2R)-2-methyl-1-(2-methylphenoxy)-3,4-dihydro-1H-naphthalen-2-ol
CID 71100005
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357997
2-(2-methylphenoxy)cyclohexan-1-one
CID 22748321
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
(1S,2R)-1-(2-methylphenoxy)spiro[1,3-dihydroindene-2,2'-morpholine]
CID 58767585
(1R,2S)-1-(2-methylphenoxy)spiro[1,3-dihydroindene-2,2'-morpholine]
CID 58767621
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
2-(2-methylphenoxy)oxetane
CID 23394730

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 24969453) is (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine is CN[C@H]1Cc2ccccc2[C@H](Oc2ccccc2C)C1.
What is the InChIKey of (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FDBFTQAPQQWDDD-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-12-15(19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-methyl-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 24969453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).