N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline

C20H28N2O — CID 84750306

IUPACN-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
SMILESCCN(Cc1ccccc1)c1ccc(CNC)cc1OC(C)C
InChIInChI=1S/C20H28N2O/c1-5-22(15-17-9-7-6-8-10-17)19-12-11-18(14-21-4)13-20(19)23-16(2)3/h6-13,16,21H,5,14-15H2,1-4H3
InChIKeyDXEXSBQKYGIIIJ-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.22
Rot. Bonds8

About N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline

N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline (PubChem CID 84750306) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
PubChem CID84750306
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline
SMILESCCN(Cc1ccccc1)c1ccc(CNC)cc1OC(C)C
InChIInChI=1S/C20H28N2O/c1-5-22(15-17-9-7-6-8-10-17)19-12-11-18(14-21-4)13-20(19)23-16(2)3/h6-13,16,21H,5,14-15H2,1-4H3
InChIKeyDXEXSBQKYGIIIJ-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.22
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

N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
CID 84750377
2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
2-[[4-[ethyl(2-hydroxyethyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750410
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
3-[N-ethyl-2-methoxy-4-(methylaminomethyl)anilino]propanoic acid
CID 84754729
2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62125453
N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
CID 84754802
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
CID 84754258
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline?
The IUPAC name of N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline (CID 84750306) is N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline.
What is the SMILES notation for N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline?
The canonical SMILES for N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline is CCN(Cc1ccccc1)c1ccc(CNC)cc1OC(C)C.
What is the InChIKey of N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline?
The InChIKey is DXEXSBQKYGIIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-22(15-17-9-7-6-8-10-17)19-12-11-18(14-21-4)13-20(19)23-16(2)3/h6-13,16,21H,5,14-15H2,1-4H3.
What are the key properties of N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline?
N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline has a molecular weight of 312.46 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(methylaminomethyl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 84750306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).