5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H17NO — CID 63820817

IUPAC5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CC(C)CC2N
InChIInChI=1S/C12H17NO/c1-8-6-10-9(11(13)7-8)4-3-5-12(10)14-2/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyFMLDVFLJZLWJHL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds1

About 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 63820817) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID63820817
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CC(C)CC2N
InChIInChI=1S/C12H17NO/c1-8-6-10-9(11(13)7-8)4-3-5-12(10)14-2/h3-5,8,11H,6-7,13H2,1-2H3
InChIKeyFMLDVFLJZLWJHL-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620615
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
N-ethyl-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63822452
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61291108
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64687610
6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
CID 90201598
(3R,4S)-8-methoxy-3-methyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 160629931
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 63820817) is 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc2c1CC(C)CC2N.
What is the InChIKey of 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FMLDVFLJZLWJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-10-9(11(13)7-8)4-3-5-12(10)14-2/h3-5,8,11H,6-7,13H2,1-2H3.
What are the key properties of 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 63820817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).