4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline

C16H28N2O2 — CID 63815315

IUPAC4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
SMILESCOCCN(CCOC)c1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C16H28N2O2/c1-13-11-16(6-5-15(13)12-14(2)17)18(7-9-19-3)8-10-20-4/h5-6,11,14H,7-10,12,17H2,1-4H3
InChIKeyHCJBSRJLVUQJAU-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.98
Rot. Bonds9

About 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline

4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline (PubChem CID 63815315) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
PubChem CID63815315
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
SMILESCOCCN(CCOC)c1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C16H28N2O2/c1-13-11-16(6-5-15(13)12-14(2)17)18(7-9-19-3)8-10-20-4/h5-6,11,14H,7-10,12,17H2,1-4H3
InChIKeyHCJBSRJLVUQJAU-UHFFFAOYSA-N
XLogP1.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 55236601
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
CID 63786915
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
4-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylaniline
CID 82951076
4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 55236025
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
4-(2-aminopropyl)-N,3-dimethylaniline
CID 10035180
4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
CID 81276883

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline (CID 63815315) is 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline is COCCN(CCOC)c1ccc(CC(C)N)c(C)c1.
What is the InChIKey of 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline?
The InChIKey is HCJBSRJLVUQJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13-11-16(6-5-15(13)12-14(2)17)18(7-9-19-3)8-10-20-4/h5-6,11,14H,7-10,12,17H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline?
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline has a molecular weight of 280.41 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline is sourced from PubChem (CID 63815315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).