1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine

C18H25NO — CID 140615931

IUPAC1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine
SMILESCOc1cccc(C2=CC3CCC(C3)[C@@H]2CN(C)C)c1
InChIInChI=1S/C18H25NO/c1-19(2)12-18-15-8-7-13(9-15)10-17(18)14-5-4-6-16(11-14)20-3/h4-6,10-11,13,15,18H,7-9,12H2,1-3H3/t13?,15?,18-/m0/s1
InChIKeyJUJKOLJCCOUYJV-RWKZGTHUSA-N
MW271.40 g/mol
LogP3.69
Rot. Bonds4

About 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine

1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine (PubChem CID 140615931) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine
PubChem CID140615931
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine
SMILESCOc1cccc(C2=CC3CCC(C3)[C@@H]2CN(C)C)c1
InChIInChI=1S/C18H25NO/c1-19(2)12-18-15-8-7-13(9-15)10-17(18)14-5-4-6-16(11-14)20-3/h4-6,10-11,13,15,18H,7-9,12H2,1-3H3/t13?,15?,18-/m0/s1
InChIKeyJUJKOLJCCOUYJV-RWKZGTHUSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

(1S,2R,5S)-3-(3-methoxyphenyl)-N,N-dimethylbicyclo[3.2.1]oct-3-en-2-amine
CID 129404207
3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene
CID 173469568
[3-[(1S,4S,5R)-4-[(dimethylamino)methyl]-3-bicyclo[3.2.1]oct-2-enyl]phenyl] cyclohexa-1,5-diene-1-carboxylate
CID 122605758
5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol
CID 141218272
1-[(4E)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine
CID 59059216
1-[(1S,4Z)-4-[(4-fluorophenyl)methylidene]-2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine
CID 10154956
3-[(dimethylamino)methyl]-2-(3-methoxyphenyl)bicyclo[4.2.0]octan-2-ol
CID 123593533
(1S,2R,3R,5R)-2-[(dimethylamino)methyl]-3-(3-methoxyphenyl)bicyclo[3.2.1]octan-3-ol
CID 149029383
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
methyl 3-[(Z)-[(4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohex-2-en-1-ylidene]methyl]benzoate
CID 10200480

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine (CID 140615931) is 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine is COc1cccc(C2=CC3CCC(C3)[C@@H]2CN(C)C)c1.
What is the InChIKey of 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine?
The InChIKey is JUJKOLJCCOUYJV-RWKZGTHUSA-N. The full InChI is InChI=1S/C18H25NO/c1-19(2)12-18-15-8-7-13(9-15)10-17(18)14-5-4-6-16(11-14)20-3/h4-6,10-11,13,15,18H,7-9,12H2,1-3H3/t13?,15?,18-/m0/s1.
What are the key properties of 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine?
1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine has a molecular weight of 271.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 140615931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).