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

C17H30N2O — CID 64790380

IUPAC4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CC)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-12-18-17(4,14-20)11-13-19(6-2)16-10-8-7-9-15(16)3/h7-10,18,20H,5-6,11-14H2,1-4H3
InChIKeyNPAYOSGFOAKVBW-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.96
Rot. Bonds9

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

4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64790380) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64790380
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CC)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-12-18-17(4,14-20)11-13-19(6-2)16-10-8-7-9-15(16)3/h7-10,18,20H,5-6,11-14H2,1-4H3
InChIKeyNPAYOSGFOAKVBW-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol (CID 64790380) is 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN(CC)c1ccccc1C.
What is the InChIKey of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is NPAYOSGFOAKVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-12-18-17(4,14-20)11-13-19(6-2)16-10-8-7-9-15(16)3/h7-10,18,20H,5-6,11-14H2,1-4H3.
What are the key properties of 4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol?
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.96, 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-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64790380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).