(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C12H18ClNO — CID 142637843

IUPAC(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@H]1CCCc2cccc(OC)c21.Cl
InChIInChI=1S/C12H17NO.ClH/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10;/h4,6,8,10,13H,3,5,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyMESQWIRPDRLMQJ-PPHPATTJSA-N
MW227.73 g/mol
LogP2.71
Rot. Bonds2

About (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 142637843) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID142637843
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@H]1CCCc2cccc(OC)c21.Cl
InChIInChI=1S/C12H17NO.ClH/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10;/h4,6,8,10,13H,3,5,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyMESQWIRPDRLMQJ-PPHPATTJSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 105458034
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
2-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105476138
2-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105474790
(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
CID 129390412
8-chloro-N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 157083464
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
7-methoxy-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
CID 83830365
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593

Frequently Asked Questions

What is the IUPAC name of (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 142637843) is (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN[C@H]1CCCc2cccc(OC)c21.Cl.
What is the InChIKey of (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is MESQWIRPDRLMQJ-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10;/h4,6,8,10,13H,3,5,7H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 142637843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).