N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine

C18H30N2O — CID 63060255

IUPACN-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCCC1CCN(c2ccc(CNCCOC)cc2C)CC1
InChIInChI=1S/C18H30N2O/c1-4-16-7-10-20(11-8-16)18-6-5-17(13-15(18)2)14-19-9-12-21-3/h5-6,13,16,19H,4,7-12,14H2,1-3H3
InChIKeyDOPCKQITCUSTGI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.36
Rot. Bonds7

About N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine

N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine (PubChem CID 63060255) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
PubChem CID63060255
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCCC1CCN(c2ccc(CNCCOC)cc2C)CC1
InChIInChI=1S/C18H30N2O/c1-4-16-7-10-20(11-8-16)18-6-5-17(13-15(18)2)14-19-9-12-21-3/h5-6,13,16,19H,4,7-12,14H2,1-3H3
InChIKeyDOPCKQITCUSTGI-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 63058712
N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62120152
N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121726
2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
CID 63786885
1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
CID 63061257
N-[[4-(azepan-1-yl)-3-chlorophenyl]methyl]-2-methoxyethanamine
CID 81148520
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81148385
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
N-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63060536
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine
CID 63972516

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine (CID 63060255) is N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine is CCC1CCN(c2ccc(CNCCOC)cc2C)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine?
The InChIKey is DOPCKQITCUSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-16-7-10-20(11-8-16)18-6-5-17(13-15(18)2)14-19-9-12-21-3/h5-6,13,16,19H,4,7-12,14H2,1-3H3.
What are the key properties of N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine?
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63060255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).