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

C20H28N2O — CID 83974047

IUPAC4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline
SMILESCCOc1ccc(C(CN)Cc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C20H28N2O/c1-5-23-20-11-8-17(12-15(20)2)18(14-21)13-16-6-9-19(10-7-16)22(3)4/h6-12,18H,5,13-14,21H2,1-4H3
InChIKeyOMJINZNGVFEKRH-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.74
Rot. Bonds7

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

4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline (PubChem CID 83974047) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline
PubChem CID83974047
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline
SMILESCCOc1ccc(C(CN)Cc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C20H28N2O/c1-5-23-20-11-8-17(12-15(20)2)18(14-21)13-16-6-9-19(10-7-16)22(3)4/h6-12,18H,5,13-14,21H2,1-4H3
InChIKeyOMJINZNGVFEKRH-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline (CID 83974047) is 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline is CCOc1ccc(C(CN)Cc2ccc(N(C)C)cc2)cc1C.
What is the InChIKey of 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline?
The InChIKey is OMJINZNGVFEKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-23-20-11-8-17(12-15(20)2)18(14-21)13-16-6-9-19(10-7-16)22(3)4/h6-12,18H,5,13-14,21H2,1-4H3.
What are the key properties of 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline?
4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline has a molecular weight of 312.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline is sourced from PubChem (CID 83974047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).