N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

C17H28N2O2 — CID 60688002

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCOc1ccc(CNCCC2CCCCN2C)cc1OC
InChIInChI=1S/C17H28N2O2/c1-19-11-5-4-6-15(19)9-10-18-13-14-7-8-16(20-2)17(12-14)21-3/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3
InChIKeyLFBZFXLTLFOKFW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 60688002) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID60688002
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCOc1ccc(CNCCC2CCCCN2C)cc1OC
InChIInChI=1S/C17H28N2O2/c1-19-11-5-4-6-15(19)9-10-18-13-14-7-8-16(20-2)17(12-14)21-3/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3
InChIKeyLFBZFXLTLFOKFW-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
3-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115639482
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416479
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (CID 60688002) is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is COc1ccc(CNCCC2CCCCN2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is LFBZFXLTLFOKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19-11-5-4-6-15(19)9-10-18-13-14-7-8-16(20-2)17(12-14)21-3/h7-8,12,15,18H,4-6,9-11,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 60688002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).