N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane

C18H32N2O2 — CID 177197546

IUPACN-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane
SMILESCCN(C=O)CCC(C)c1ccc(N)cc1.COC(C)(C)C
InChIInChI=1S/C13H20N2O.C5H12O/c1-3-15(10-16)9-8-11(2)12-4-6-13(14)7-5-12;1-5(2,3)6-4/h4-7,10-11H,3,8-9,14H2,1-2H3;1-4H3
InChIKeyYISCCSCFZUEQEH-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.67
Rot. Bonds6

About N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane

N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane (PubChem CID 177197546) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane
PubChem CID177197546
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane
SMILESCCN(C=O)CCC(C)c1ccc(N)cc1.COC(C)(C)C
InChIInChI=1S/C13H20N2O.C5H12O/c1-3-15(10-16)9-8-11(2)12-4-6-13(14)7-5-12;1-5(2,3)6-4/h4-7,10-11H,3,8-9,14H2,1-2H3;1-4H3
InChIKeyYISCCSCFZUEQEH-UHFFFAOYSA-N
XLogP3.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501779
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
3-(4-aminophenyl)butanal
CID 143206837
4-[4-[propan-2-yl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501778
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397
4-(4-pentan-2-ylphenoxy)aniline
CID 19386569
4-docosan-2-ylaniline
CID 22757336

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane?
The IUPAC name of N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane (CID 177197546) is N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane.
What is the SMILES notation for N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane?
The canonical SMILES for N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane is CCN(C=O)CCC(C)c1ccc(N)cc1.COC(C)(C)C.
What is the InChIKey of N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane?
The InChIKey is YISCCSCFZUEQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C5H12O/c1-3-15(10-16)9-8-11(2)12-4-6-13(14)7-5-12;1-5(2,3)6-4/h4-7,10-11H,3,8-9,14H2,1-2H3;1-4H3.
What are the key properties of N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane?
N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane has a molecular weight of 308.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 177197546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).