4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline

C15H26N2O — CID 103034084

IUPAC4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline
SMILESCCN(CCC(C)(C)OC)Cc1ccc(N)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(11-10-15(2,3)18-4)12-13-6-8-14(16)9-7-13/h6-9H,5,10-12,16H2,1-4H3
InChIKeyNPKPDOGAJKTDSG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.91
Rot. Bonds7

About 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline

4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline (PubChem CID 103034084) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline
PubChem CID103034084
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline
SMILESCCN(CCC(C)(C)OC)Cc1ccc(N)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(11-10-15(2,3)18-4)12-13-6-8-14(16)9-7-13/h6-9H,5,10-12,16H2,1-4H3
InChIKeyNPKPDOGAJKTDSG-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-methoxy-3-methylbutyl)-propylamino]methyl]aniline
CID 103034086
4-[[(3-methoxy-3-methylbutyl)-propan-2-ylamino]methyl]aniline
CID 103034089
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-(2-methoxy-2-methylpropyl)aniline
CID 91618890
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
methyl 3-[(4-aminophenyl)methyl-ethylamino]-2,2-dimethylpropanoate
CID 79624311
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725897
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline?
The IUPAC name of 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline (CID 103034084) is 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline is CCN(CCC(C)(C)OC)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline?
The InChIKey is NPKPDOGAJKTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(11-10-15(2,3)18-4)12-13-6-8-14(16)9-7-13/h6-9H,5,10-12,16H2,1-4H3.
What are the key properties of 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline?
4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline has a molecular weight of 250.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline is sourced from PubChem (CID 103034084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).