2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine

C20H27NO2 — CID 62725841

IUPAC2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOCCNCC(Cc1ccccc1)Cc1ccccc1OC
InChIInChI=1S/C20H27NO2/c1-22-13-12-21-16-18(14-17-8-4-3-5-9-17)15-19-10-6-7-11-20(19)23-2/h3-11,18,21H,12-16H2,1-2H3
InChIKeyKFIFJDLBHHJOMJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.33
Rot. Bonds10

About 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine

2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 62725841) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
PubChem CID62725841
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOCCNCC(Cc1ccccc1)Cc1ccccc1OC
InChIInChI=1S/C20H27NO2/c1-22-13-12-21-16-18(14-17-8-4-3-5-9-17)15-19-10-6-7-11-20(19)23-2/h3-11,18,21H,12-16H2,1-2H3
InChIKeyKFIFJDLBHHJOMJ-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.33
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

2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
2-[(2-methoxyphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 62515411
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-(furan-3-ylmethyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 83182797

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine (CID 62725841) is 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine is COCCNCC(Cc1ccccc1)Cc1ccccc1OC.
What is the InChIKey of 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is KFIFJDLBHHJOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-22-13-12-21-16-18(14-17-8-4-3-5-9-17)15-19-10-6-7-11-20(19)23-2/h3-11,18,21H,12-16H2,1-2H3.
What are the key properties of 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine?
2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-methoxyethyl)-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 62725841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).