1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol

C18H32N2O — CID 115995337

IUPAC1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
SMILESCCCNC(CC)c1ccccc1N(CC)CC(C)(C)O
InChIInChI=1S/C18H32N2O/c1-6-13-19-16(7-2)15-11-9-10-12-17(15)20(8-3)14-18(4,5)21/h9-12,16,19,21H,6-8,13-14H2,1-5H3
InChIKeyZULVRXIJOMXFHR-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.73
Rot. Bonds9

About 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol

1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol (PubChem CID 115995337) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
PubChem CID115995337
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
SMILESCCCNC(CC)c1ccccc1N(CC)CC(C)(C)O
InChIInChI=1S/C18H32N2O/c1-6-13-19-16(7-2)15-11-9-10-12-17(15)20(8-3)14-18(4,5)21/h9-12,16,19,21H,6-8,13-14H2,1-5H3
InChIKeyZULVRXIJOMXFHR-UHFFFAOYSA-N
XLogP3.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
CID 115995349
2-[1-(methylamino)propyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 115995093
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795

Frequently Asked Questions

What is the IUPAC name of 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol (CID 115995337) is 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol is CCCNC(CC)c1ccccc1N(CC)CC(C)(C)O.
What is the InChIKey of 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol?
The InChIKey is ZULVRXIJOMXFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-13-19-16(7-2)15-11-9-10-12-17(15)20(8-3)14-18(4,5)21/h9-12,16,19,21H,6-8,13-14H2,1-5H3.
What are the key properties of 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol?
1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol has a molecular weight of 292.47 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 115995337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).