N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline

C15H26N2 — CID 43284571

IUPACN-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
SMILESCCNC(C)c1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-16-13(5)14-8-10-15(11-9-14)17(7-2)12(3)4/h8-13,16H,6-7H2,1-5H3
InChIKeyFAIRQZMFURUDLT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline

N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline (PubChem CID 43284571) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
PubChem CID43284571
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
SMILESCCNC(C)c1ccc(N(CC)C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-16-13(5)14-8-10-15(11-9-14)17(7-2)12(3)4/h8-13,16H,6-7H2,1-5H3
InChIKeyFAIRQZMFURUDLT-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-ethyl-4-[1-(ethylamino)propyl]-N-propan-2-ylaniline
CID 114066010
4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 61451157
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157
1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
CID 62333161
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284232
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79850828
N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695069
N-[4-[1-(ethylamino)ethyl]phenyl]-N,3,5-trimethylaniline
CID 63533292
2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
CID 63533725
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline?
The IUPAC name of N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline (CID 43284571) is N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline.
What is the SMILES notation for N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline?
The canonical SMILES for N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline is CCNC(C)c1ccc(N(CC)C(C)C)cc1.
What is the InChIKey of N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline?
The InChIKey is FAIRQZMFURUDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-16-13(5)14-8-10-15(11-9-14)17(7-2)12(3)4/h8-13,16H,6-7H2,1-5H3.
What are the key properties of N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline?
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline is sourced from PubChem (CID 43284571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).