4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline

C16H28N2O — CID 103271170

IUPAC4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
SMILESCCOCC(NCc1ccc(N(C)C)cc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-6-19-12-16(13(2)3)17-11-14-7-9-15(10-8-14)18(4)5/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyKPAOGPNLBXBIEH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds8

About 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline

4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline (PubChem CID 103271170) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
PubChem CID103271170
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline
SMILESCCOCC(NCc1ccc(N(C)C)cc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-6-19-12-16(13(2)3)17-11-14-7-9-15(10-8-14)18(4)5/h7-10,13,16-17H,6,11-12H2,1-5H3
InChIKeyKPAOGPNLBXBIEH-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271048
2-N-[[4-(dimethylamino)phenyl]methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476450
N-[(3,4-dibromophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114869
4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline
CID 113259919
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
N,N-dimethyl-4-[(2-methylpropoxyamino)methyl]aniline
CID 82710734
5-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-methoxyphenol
CID 103271015
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-2-fluorophenol
CID 114114858
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 103271036

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline (CID 103271170) is 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline is CCOCC(NCc1ccc(N(C)C)cc1)C(C)C.
What is the InChIKey of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline?
The InChIKey is KPAOGPNLBXBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-19-12-16(13(2)3)17-11-14-7-9-15(10-8-14)18(4)5/h7-10,13,16-17H,6,11-12H2,1-5H3.
What are the key properties of 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline?
4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline has a molecular weight of 264.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 103271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).