2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline

C15H26N2O — CID 84754258

IUPAC2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CNC)cc1OC
InChIInChI=1S/C15H26N2O/c1-5-9-17(10-6-2)14-8-7-13(12-16-3)11-15(14)18-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyWAGOJTSCRZGLIB-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.04
Rot. Bonds8

About 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline

2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline (PubChem CID 84754258) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline.

Molecular Properties

Compound Name2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
PubChem CID84754258
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CNC)cc1OC
InChIInChI=1S/C15H26N2O/c1-5-9-17(10-6-2)14-8-7-13(12-16-3)11-15(14)18-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3
InChIKeyWAGOJTSCRZGLIB-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
CID 84754251
N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84754259
2-methoxy-N,N-dimethyl-4-(methylaminomethyl)aniline
CID 84754595
3-[N-ethyl-2-methoxy-4-(methylaminomethyl)anilino]propanoic acid
CID 84754729
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
CID 84754802
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 102704372
N-butyl-4-[(cyclopentylamino)methyl]-N-ethyl-2-methoxyaniline
CID 84754296
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 81149144
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
3-[2-ethoxy-4-(ethylaminomethyl)-N-propylanilino]propanoic acid
CID 84749909

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline?
The IUPAC name of 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline (CID 84754258) is 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline.
What is the SMILES notation for 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline?
The canonical SMILES for 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline is CCCN(CCC)c1ccc(CNC)cc1OC.
What is the InChIKey of 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline?
The InChIKey is WAGOJTSCRZGLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-9-17(10-6-2)14-8-7-13(12-16-3)11-15(14)18-4/h7-8,11,16H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline?
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline has a molecular weight of 250.39 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline is sourced from PubChem (CID 84754258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).