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

C18H32N2 — CID 63533282

IUPAC2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccccc1C(C)NCC)C(C)C
InChIInChI=1S/C18H32N2/c1-6-8-11-14-20(15(3)4)18-13-10-9-12-17(18)16(5)19-7-2/h9-10,12-13,15-16,19H,6-8,11,14H2,1-5H3
InChIKeyQCBAGGKAQZYJQL-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.76
Rot. Bonds9

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

2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline (PubChem CID 63533282) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline
PubChem CID63533282
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccccc1C(C)NCC)C(C)C
InChIInChI=1S/C18H32N2/c1-6-8-11-14-20(15(3)4)18-13-10-9-12-17(18)16(5)19-7-2/h9-10,12-13,15-16,19H,6-8,11,14H2,1-5H3
InChIKeyQCBAGGKAQZYJQL-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline
CID 115995052
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
CID 103958727
4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 63532999
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
N-ethyl-2-[1-(ethylamino)ethyl]-N-phenylaniline
CID 43284278
4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
3-[2-[(1S)-1-aminoethyl]-N-propan-2-ylanilino]propan-1-ol
CID 78935229
1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline?
The IUPAC name of 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline (CID 63533282) is 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline is CCCCCN(c1ccccc1C(C)NCC)C(C)C.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline?
The InChIKey is QCBAGGKAQZYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-8-11-14-20(15(3)4)18-13-10-9-12-17(18)16(5)19-7-2/h9-10,12-13,15-16,19H,6-8,11,14H2,1-5H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline?
2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline is sourced from PubChem (CID 63533282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).