4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol

C16H28N2O — CID 64790184

IUPAC4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(CC)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-4-11-17-15(13-19)10-12-18(5-2)16-9-7-6-8-14(16)3/h6-9,15,17,19H,4-5,10-13H2,1-3H3
InChIKeyGXIGEQQMGNXKDA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.57
Rot. Bonds9

About 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol

4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol (PubChem CID 64790184) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
PubChem CID64790184
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(CC)c1ccccc1C
InChIInChI=1S/C16H28N2O/c1-4-11-17-15(13-19)10-12-18(5-2)16-9-7-6-8-14(16)3/h6-9,15,17,19H,4-5,10-13H2,1-3H3
InChIKeyGXIGEQQMGNXKDA-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-ethyl-2-methylanilino)-3-(propylamino)butan-1-ol
CID 64897313
methyl 4-(N-ethyl-2-methylanilino)-2-(propylamino)butanoate
CID 63030284
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
CID 64791335
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
1-(N-ethyl-2-methylanilino)pentan-2-ol
CID 62041707
2-(N-ethyl-2-methylanilino)ethanol sulfate
CID 19002397

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol (CID 64790184) is 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol is CCCNC(CO)CCN(CC)c1ccccc1C.
What is the InChIKey of 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol?
The InChIKey is GXIGEQQMGNXKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-11-17-15(13-19)10-12-18(5-2)16-9-7-6-8-14(16)3/h6-9,15,17,19H,4-5,10-13H2,1-3H3.
What are the key properties of 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol?
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64790184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).