N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline

C19H26N2O — CID 82153932

IUPACN-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline
SMILESCCOc1ccc(CCCNc2cccc(C)c2C)cc1N
InChIInChI=1S/C19H26N2O/c1-4-22-19-11-10-16(13-17(19)20)8-6-12-21-18-9-5-7-14(2)15(18)3/h5,7,9-11,13,21H,4,6,8,12,20H2,1-3H3
InChIKeySDIHUEQKYBZLNC-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.33
Rot. Bonds7

About N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline

N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline (PubChem CID 82153932) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline
PubChem CID82153932
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline
SMILESCCOc1ccc(CCCNc2cccc(C)c2C)cc1N
InChIInChI=1S/C19H26N2O/c1-4-22-19-11-10-16(13-17(19)20)8-6-12-21-18-9-5-7-14(2)15(18)3/h5,7,9-11,13,21H,4,6,8,12,20H2,1-3H3
InChIKeySDIHUEQKYBZLNC-UHFFFAOYSA-N
XLogP4.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,6-difluoroaniline
CID 94760420
3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
CID 82153937
5-[3-(4-tert-butylanilino)propyl]-2-ethoxyaniline
CID 82153944
5-[3-(3,4-difluoroanilino)propyl]-2-ethoxyaniline
CID 94760419
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126127933
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558
5-[3-(4-ethoxyanilino)propyl]-2-propoxyaniline
CID 82153892
5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
CID 82153898
2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
CID 83961718
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline?
The IUPAC name of N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline (CID 82153932) is N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline?
The canonical SMILES for N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline is CCOc1ccc(CCCNc2cccc(C)c2C)cc1N.
What is the InChIKey of N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline?
The InChIKey is SDIHUEQKYBZLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-22-19-11-10-16(13-17(19)20)8-6-12-21-18-9-5-7-14(2)15(18)3/h5,7,9-11,13,21H,4,6,8,12,20H2,1-3H3.
What are the key properties of N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline?
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline has a molecular weight of 298.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline is sourced from PubChem (CID 82153932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).