N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

C18H30N2O2 — CID 84754813

IUPACN-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCOc1cc(CNCCOC)ccc1N1CCCCC1C
InChIInChI=1S/C18H30N2O2/c1-4-22-18-13-16(14-19-10-12-21-3)8-9-17(18)20-11-6-5-7-15(20)2/h8-9,13,15,19H,4-7,10-12,14H2,1-3H3
InChIKeyALGNJWPJDYSHMG-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.20
Rot. Bonds8

About N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 84754813) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID84754813
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCCOc1cc(CNCCOC)ccc1N1CCCCC1C
InChIInChI=1S/C18H30N2O2/c1-4-22-18-13-16(14-19-10-12-21-3)8-9-17(18)20-11-6-5-7-15(20)2/h8-9,13,15,19H,4-7,10-12,14H2,1-3H3
InChIKeyALGNJWPJDYSHMG-UHFFFAOYSA-N
XLogP3.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
N-[[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149735
N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine
CID 84750313
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114847257
N-[[3,5-difluoro-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059606
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
CID 84749929
2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 84754239
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
N-[[4-chloro-2-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114848658

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 84754813) is N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is CCOc1cc(CNCCOC)ccc1N1CCCCC1C.
What is the InChIKey of N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is ALGNJWPJDYSHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-22-18-13-16(14-19-10-12-21-3)8-9-17(18)20-11-6-5-7-15(20)2/h8-9,13,15,19H,4-7,10-12,14H2,1-3H3.
What are the key properties of N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 306.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 84754813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).