1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine

C16H26N2O — CID 117019321

IUPAC1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine
SMILESCNC1CCCN(c2cc(C)ccc2OC)C1(C)C
InChIInChI=1S/C16H26N2O/c1-12-8-9-14(19-5)13(11-12)18-10-6-7-15(17-4)16(18,2)3/h8-9,11,15,17H,6-7,10H2,1-5H3
InChIKeyWIRAFOWGHXOLDQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine

1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine (PubChem CID 117019321) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine
PubChem CID117019321
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine
SMILESCNC1CCCN(c2cc(C)ccc2OC)C1(C)C
InChIInChI=1S/C16H26N2O/c1-12-8-9-14(19-5)13(11-12)18-10-6-7-15(17-4)16(18,2)3/h8-9,11,15,17H,6-7,10H2,1-5H3
InChIKeyWIRAFOWGHXOLDQ-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017096
1-(2-methoxy-5-methylphenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017225
1-(2,4-dimethoxyphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017135
(2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine
CID 59886832
1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
CID 117018427
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
CID 64926759
1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one
CID 117025206
1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(2-methoxy-4-methylphenyl)-N,4-dimethylpiperidin-4-amine
CID 166899283
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine (CID 117019321) is 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine is CNC1CCCN(c2cc(C)ccc2OC)C1(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine?
The InChIKey is WIRAFOWGHXOLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-8-9-14(19-5)13(11-12)18-10-6-7-15(17-4)16(18,2)3/h8-9,11,15,17H,6-7,10H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine?
1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N,2,2-trimethylpiperidin-3-amine is sourced from PubChem (CID 117019321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).