1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride

C19H24ClNO — CID 70167234

IUPAC1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@H]1CCc2cc(OC)ccc2[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-20-13-16-9-8-15-12-17(21-2)10-11-18(15)19(16)14-6-4-3-5-7-14;/h3-7,10-12,16,19-20H,8-9,13H2,1-2H3;1H/t16-,19+;/m0./s1
InChIKeyDWQRDTKNHYEWJW-ZKKBRJJYSA-N
MW317.86 g/mol
LogP4.03
Rot. Bonds4

About 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride

1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 70167234) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID70167234
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@H]1CCc2cc(OC)ccc2[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-20-13-16-9-8-15-12-17(21-2)10-11-18(15)19(16)14-6-4-3-5-7-14;/h3-7,10-12,16,19-20H,8-9,13H2,1-2H3;1H/t16-,19+;/m0./s1
InChIKeyDWQRDTKNHYEWJW-ZKKBRJJYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride with MolForge

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Related Compounds

methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 18477138
2-[[6-(2,2-dimethylpropoxy)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methylamino]acetic acid
CID 70166397
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-[(6-methyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid
CID 70166753
2-[[(1R,2S)-6-methoxy-1-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid;2,2,2-trifluoroacetic acid
CID 70166401
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 12018054
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 10243928
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
2-[(1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methylamino]acetic acid;hydrochloride
CID 70168842

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride (CID 70167234) is 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride is CNC[C@@H]1CCc2cc(OC)ccc2[C@@H]1c1ccccc1.Cl.
What is the InChIKey of 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is DWQRDTKNHYEWJW-ZKKBRJJYSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-20-13-16-9-8-15-12-17(21-2)10-11-18(15)19(16)14-6-4-3-5-7-14;/h3-7,10-12,16,19-20H,8-9,13H2,1-2H3;1H/t16-,19+;/m0./s1.
What are the key properties of 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride?
1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 70167234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).