[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine

C17H28N2O — CID 114592331

IUPAC[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN2CC(C)CC(C)C2C)cc1CN
InChIInChI=1S/C17H28N2O/c1-12-7-13(2)14(3)19(10-12)11-15-5-6-17(20-4)16(8-15)9-18/h5-6,8,12-14H,7,9-11,18H2,1-4H3
InChIKeyUOWHUCUPXBDHSY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.02
Rot. Bonds4

About [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine

[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 114592331) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID114592331
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN2CC(C)CC(C)C2C)cc1CN
InChIInChI=1S/C17H28N2O/c1-12-7-13(2)14(3)19(10-12)11-15-5-6-17(20-4)16(8-15)9-18/h5-6,8,12-14H,7,9-11,18H2,1-4H3
InChIKeyUOWHUCUPXBDHSY-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
CID 114592263
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340989
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 65338326
[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592305
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
2-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 107879532
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine (CID 114592331) is [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine is COc1ccc(CN2CC(C)CC(C)C2C)cc1CN.
What is the InChIKey of [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is UOWHUCUPXBDHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-7-13(2)14(3)19(10-12)11-15-5-6-17(20-4)16(8-15)9-18/h5-6,8,12-14H,7,9-11,18H2,1-4H3.
What are the key properties of [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114592331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).