N-benzyl-2-(2,3-diethoxyphenyl)ethanamine

C19H25NO2 — CID 69362422

IUPACN-benzyl-2-(2,3-diethoxyphenyl)ethanamine
SMILESCCOc1cccc(CCNCc2ccccc2)c1OCC
InChIInChI=1S/C19H25NO2/c1-3-21-18-12-8-11-17(19(18)22-4-2)13-14-20-15-16-9-6-5-7-10-16/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeySZYLCVGBRFRLKV-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.82
Rot. Bonds9

About N-benzyl-2-(2,3-diethoxyphenyl)ethanamine

N-benzyl-2-(2,3-diethoxyphenyl)ethanamine (PubChem CID 69362422) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-benzyl-2-(2,3-diethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(2,3-diethoxyphenyl)ethanamine
PubChem CID69362422
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-benzyl-2-(2,3-diethoxyphenyl)ethanamine
SMILESCCOc1cccc(CCNCc2ccccc2)c1OCC
InChIInChI=1S/C19H25NO2/c1-3-21-18-12-8-11-17(19(18)22-4-2)13-14-20-15-16-9-6-5-7-10-16/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeySZYLCVGBRFRLKV-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.82
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-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207330
1-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4724419
3-ethoxy-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 4716380
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212733
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-diethoxyphenyl)ethanamine?
The IUPAC name of N-benzyl-2-(2,3-diethoxyphenyl)ethanamine (CID 69362422) is N-benzyl-2-(2,3-diethoxyphenyl)ethanamine.
What is the SMILES notation for N-benzyl-2-(2,3-diethoxyphenyl)ethanamine?
The canonical SMILES for N-benzyl-2-(2,3-diethoxyphenyl)ethanamine is CCOc1cccc(CCNCc2ccccc2)c1OCC.
What is the InChIKey of N-benzyl-2-(2,3-diethoxyphenyl)ethanamine?
The InChIKey is SZYLCVGBRFRLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-21-18-12-8-11-17(19(18)22-4-2)13-14-20-15-16-9-6-5-7-10-16/h5-12,20H,3-4,13-15H2,1-2H3.
What are the key properties of N-benzyl-2-(2,3-diethoxyphenyl)ethanamine?
N-benzyl-2-(2,3-diethoxyphenyl)ethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-diethoxyphenyl)ethanamine is sourced from PubChem (CID 69362422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).