(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C18H22ClNO — CID 22866782

IUPAC(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cccc2c1C[C@H](NCc1ccccc1)CC2.Cl
InChIInChI=1S/C18H21NO.ClH/c1-20-18-9-5-8-15-10-11-16(12-17(15)18)19-13-14-6-3-2-4-7-14;/h2-9,16,19H,10-13H2,1H3;1H/t16-;/m1./s1
InChIKeyLGUNSMBIYNSTIP-PKLMIRHRSA-N
MW303.83 g/mol
LogP3.76
Rot. Bonds4

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

(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 22866782) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID22866782
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cccc2c1C[C@H](NCc1ccccc1)CC2.Cl
InChIInChI=1S/C18H21NO.ClH/c1-20-18-9-5-8-15-10-11-16(12-17(15)18)19-13-14-6-3-2-4-7-14;/h2-9,16,19H,10-13H2,1H3;1H/t16-;/m1./s1
InChIKeyLGUNSMBIYNSTIP-PKLMIRHRSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331822
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19696146
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718
8-(3-methoxy-2-pyridinyl)-N-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 18933161
N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)formamide
CID 18976441
(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
N-[3-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]-1-phenylmethanesulfonamide
CID 67870487
N-[3-(1-azabicyclo[2.2.2]octan-3-yl)propyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
CID 19377016
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 126817915

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 22866782) is (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is COc1cccc2c1C[C@H](NCc1ccccc1)CC2.Cl.
What is the InChIKey of (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is LGUNSMBIYNSTIP-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-20-18-9-5-8-15-10-11-16(12-17(15)18)19-13-14-6-3-2-4-7-14;/h2-9,16,19H,10-13H2,1H3;1H/t16-;/m1./s1.
What are the key properties of (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 22866782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).