N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine

C22H31NO2 — CID 54807813

IUPACN-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCCCCOc1c(CNCCc2ccccc2C)cccc1OC
InChIInChI=1S/C22H31NO2/c1-4-5-8-16-25-22-20(12-9-13-21(22)24-3)17-23-15-14-19-11-7-6-10-18(19)2/h6-7,9-13,23H,4-5,8,14-17H2,1-3H3
InChIKeyJWXBKDZMVXGVLU-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.90
Rot. Bonds11

About N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine

N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 54807813) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID54807813
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCCCCOc1c(CNCCc2ccccc2C)cccc1OC
InChIInChI=1S/C22H31NO2/c1-4-5-8-16-25-22-20(12-9-13-21(22)24-3)17-23-15-14-19-11-7-6-10-18(19)2/h6-7,9-13,23H,4-5,8,14-17H2,1-3H3
InChIKeyJWXBKDZMVXGVLU-UHFFFAOYSA-N
XLogP4.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(3-methoxy-2-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804480
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807529
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine (CID 54807813) is N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine is CCCCCOc1c(CNCCc2ccccc2C)cccc1OC.
What is the InChIKey of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is JWXBKDZMVXGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-4-5-8-16-25-22-20(12-9-13-21(22)24-3)17-23-15-14-19-11-7-6-10-18(19)2/h6-7,9-13,23H,4-5,8,14-17H2,1-3H3.
What are the key properties of N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 341.50 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 54807813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).