(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride

C12H18ClNO — CID 19888691

IUPAC(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
SMILESCOc1cccc2c1CC(CN)CC2.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-12-4-2-3-10-6-5-9(8-13)7-11(10)12;/h2-4,9H,5-8,13H2,1H3;1H
InChIKeyUVJIUOSSLWLUAE-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.18
Rot. Bonds2

About (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride

(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride (PubChem CID 19888691) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
PubChem CID19888691
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
SMILESCOc1cccc2c1CC(CN)CC2.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-12-4-2-3-10-6-5-9(8-13)7-11(10)12;/h2-4,9H,5-8,13H2,1H3;1H
InChIKeyUVJIUOSSLWLUAE-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70281318
3-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 102420215
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 11440556
1-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105445390
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
8-methoxy-N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331775

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride?
The IUPAC name of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride (CID 19888691) is (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride is COc1cccc2c1CC(CN)CC2.Cl.
What is the InChIKey of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride?
The InChIKey is UVJIUOSSLWLUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-14-12-4-2-3-10-6-5-9(8-13)7-11(10)12;/h2-4,9H,5-8,13H2,1H3;1H.
What are the key properties of (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride?
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 19888691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).