[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine

C15H24N2O — CID 65341173

IUPAC[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN2CCCCC2C)cc1CN
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-8-17(12)11-13-6-7-15(18-2)14(9-13)10-16/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3
InChIKeyMJHHQGACTXBNBA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.53
Rot. Bonds4

About [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine

[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 65341173) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID65341173
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc(CN2CCCCC2C)cc1CN
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-8-17(12)11-13-6-7-15(18-2)14(9-13)10-16/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3
InChIKeyMJHHQGACTXBNBA-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 65338326
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 77065911
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340989
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine (CID 65341173) is [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine is COc1ccc(CN2CCCCC2C)cc1CN.
What is the InChIKey of [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is MJHHQGACTXBNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-3-4-8-17(12)11-13-6-7-15(18-2)14(9-13)10-16/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of [2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine?
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.53, 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-methylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 65341173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).