5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline

C16H24N2O — CID 59353025

IUPAC5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline
SMILESCOc1ccc(CC2C[C@H]3CC[C@@H](C2)N3C)c(N)c1
InChIInChI=1S/C16H24N2O/c1-18-13-4-5-14(18)9-11(8-13)7-12-3-6-15(19-2)10-16(12)17/h3,6,10-11,13-14H,4-5,7-9,17H2,1-2H3/t11?,13-,14+
InChIKeyCJMBAKHGAWXPKX-QXMXGUDHSA-N
MW260.38 g/mol
LogP2.69
Rot. Bonds3

About 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline

5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline (PubChem CID 59353025) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline
PubChem CID59353025
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline
SMILESCOc1ccc(CC2C[C@H]3CC[C@@H](C2)N3C)c(N)c1
InChIInChI=1S/C16H24N2O/c1-18-13-4-5-14(18)9-11(8-13)7-12-3-6-15(19-2)10-16(12)17/h3,6,10-11,13-14H,4-5,7-9,17H2,1-2H3/t11?,13-,14+
InChIKeyCJMBAKHGAWXPKX-QXMXGUDHSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline with MolForge

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Related Compounds

5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
2-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 174798401
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 66933157
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 115413812
2-(2-amino-4-methoxyphenyl)-1-phenylethanol
CID 15151157
(1R)-1-[4-[(2-amino-4-methoxyphenyl)methyl]piperidin-1-yl]-6-ethylcyclohexa-2,4-dien-1-ol
CID 174798526

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline?
The IUPAC name of 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline (CID 59353025) is 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline.
What is the SMILES notation for 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline?
The canonical SMILES for 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline is COc1ccc(CC2C[C@H]3CC[C@@H](C2)N3C)c(N)c1.
What is the InChIKey of 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline?
The InChIKey is CJMBAKHGAWXPKX-QXMXGUDHSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-13-4-5-14(18)9-11(8-13)7-12-3-6-15(19-2)10-16(12)17/h3,6,10-11,13-14H,4-5,7-9,17H2,1-2H3/t11?,13-,14+.
What are the key properties of 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline?
5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline has a molecular weight of 260.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline is sourced from PubChem (CID 59353025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).