2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine

C16H26N2O — CID 82302971

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1cc(C)c(C)cc1C(CN)N1CCCCC1
InChIInChI=1S/C16H26N2O/c1-12-9-14(16(19-3)10-13(12)2)15(11-17)18-7-5-4-6-8-18/h9-10,15H,4-8,11,17H2,1-3H3
InChIKeyANDGAISRUUHJSR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine

2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine (PubChem CID 82302971) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
PubChem CID82302971
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1cc(C)c(C)cc1C(CN)N1CCCCC1
InChIInChI=1S/C16H26N2O/c1-12-9-14(16(19-3)10-13(12)2)15(11-17)18-7-5-4-6-8-18/h9-10,15H,4-8,11,17H2,1-3H3
InChIKeyANDGAISRUUHJSR-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 114075463
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
2-(2-methoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82303447
2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
CID 112748975
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82122257
(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
4-(2-amino-1-pyrrolidin-1-ylethyl)-2-bromo-6-methoxyphenol
CID 16792754
2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine (CID 82302971) is 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine is COc1cc(C)c(C)cc1C(CN)N1CCCCC1.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is ANDGAISRUUHJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-14(16(19-3)10-13(12)2)15(11-17)18-7-5-4-6-8-18/h9-10,15H,4-8,11,17H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine?
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 82302971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).