N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline

C19H26N2 — CID 104501623

IUPACN-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
SMILESCCN(CCC(C)c1ccc(N)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-4-21(19-11-5-15(2)6-12-19)14-13-16(3)17-7-9-18(20)10-8-17/h5-12,16H,4,13-14,20H2,1-3H3
InChIKeyCYQWJEDSZOEURH-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.60
Rot. Bonds6

About N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline

N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline (PubChem CID 104501623) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
PubChem CID104501623
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
SMILESCCN(CCC(C)c1ccc(N)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-4-21(19-11-5-15(2)6-12-19)14-13-16(3)17-7-9-18(20)10-8-17/h5-12,16H,4,13-14,20H2,1-3H3
InChIKeyCYQWJEDSZOEURH-UHFFFAOYSA-N
XLogP4.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
4-methyl-N,N-bis(3-methylbutyl)aniline
CID 138414456
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline (CID 104501623) is N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline is CCN(CCC(C)c1ccc(N)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline?
The InChIKey is CYQWJEDSZOEURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-21(19-11-5-15(2)6-12-19)14-13-16(3)17-7-9-18(20)10-8-17/h5-12,16H,4,13-14,20H2,1-3H3.
What are the key properties of N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline?
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline has a molecular weight of 282.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 104501623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).