2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline

C19H30N2O — CID 82256067

IUPAC2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline
SMILESCOc1ccc(CCN2CC3(C)CC2CC(C)(C)C3)cc1N
InChIInChI=1S/C19H30N2O/c1-18(2)10-15-11-19(3,12-18)13-21(15)8-7-14-5-6-17(22-4)16(20)9-14/h5-6,9,15H,7-8,10-13,20H2,1-4H3
InChIKeyMORZSWJIZLMHOX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.72
Rot. Bonds4

About 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline

2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline (PubChem CID 82256067) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline
PubChem CID82256067
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline
SMILESCOc1ccc(CCN2CC3(C)CC2CC(C)(C)C3)cc1N
InChIInChI=1S/C19H30N2O/c1-18(2)10-15-11-19(3,12-18)13-21(15)8-7-14-5-6-17(22-4)16(20)9-14/h5-6,9,15H,7-8,10-13,20H2,1-4H3
InChIKeyMORZSWJIZLMHOX-UHFFFAOYSA-N
XLogP3.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline with MolForge

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Related Compounds

6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 2845718
(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 50937998
2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311784
(3,4-dimethoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 2928969
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 124719155
[1-[2-(3,4-dimethoxyphenyl)ethyl]aziridin-2-yl]methanamine
CID 117010060
(2-amino-4-methoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 110451511
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776572
[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 3-fluoro-4-methoxybenzoate
CID 50938293
1-(3,4-dimethylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82215778
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
5-(fluoromethyl)-2-methoxyaniline
CID 84650155

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline?
The IUPAC name of 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline (CID 82256067) is 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline.
What is the SMILES notation for 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline?
The canonical SMILES for 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline is COc1ccc(CCN2CC3(C)CC2CC(C)(C)C3)cc1N.
What is the InChIKey of 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline?
The InChIKey is MORZSWJIZLMHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-18(2)10-15-11-19(3,12-18)13-21(15)8-7-14-5-6-17(22-4)16(20)9-14/h5-6,9,15H,7-8,10-13,20H2,1-4H3.
What are the key properties of 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline?
2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline has a molecular weight of 302.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline is sourced from PubChem (CID 82256067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).