4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline

C18H32N2 — CID 43767467

IUPAC4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline
SMILESCCCCC(CC)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-8-9-16(7-2)14-19-15(3)17-10-12-18(13-11-17)20(4)5/h10-13,15-16,19H,6-9,14H2,1-5H3
InChIKeyCFLHSOAYGLWWOO-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.62
Rot. Bonds9

About 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline

4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline (PubChem CID 43767467) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline
PubChem CID43767467
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline
SMILESCCCCC(CC)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-8-9-16(7-2)14-19-15(3)17-10-12-18(13-11-17)20(4)5/h10-13,15-16,19H,6-9,14H2,1-5H3
InChIKeyCFLHSOAYGLWWOO-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.62
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

4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
CID 81374760
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]hexan-1-amine
CID 81407759
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
2-ethyl-N-[1-(3-nitrophenyl)ethyl]hexan-1-amine
CID 43082177
2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
CID 43767516
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
4-ethyloctan-2-yl 4-(dimethylamino)benzoate
CID 91100903
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
4-(1-iodohexan-2-yl)-N,N-dimethylaniline
CID 11078065
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline (CID 43767467) is 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline is CCCCC(CC)CNC(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is CFLHSOAYGLWWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-8-9-16(7-2)14-19-15(3)17-10-12-18(13-11-17)20(4)5/h10-13,15-16,19H,6-9,14H2,1-5H3.
What are the key properties of 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline?
4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylhexylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 43767467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).