3-(N-ethyl-2,5-dimethylanilino)propan-1-ol

C13H21NO — CID 110935894

IUPAC3-(N-ethyl-2,5-dimethylanilino)propan-1-ol
SMILESCCN(CCCO)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-4-14(8-5-9-15)13-10-11(2)6-7-12(13)3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyZZNZMENXIRVXGT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds5

About 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol

3-(N-ethyl-2,5-dimethylanilino)propan-1-ol (PubChem CID 110935894) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(N-ethyl-2,5-dimethylanilino)propan-1-ol
PubChem CID110935894
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(N-ethyl-2,5-dimethylanilino)propan-1-ol
SMILESCCN(CCCO)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-4-14(8-5-9-15)13-10-11(2)6-7-12(13)3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyZZNZMENXIRVXGT-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol?
The IUPAC name of 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol (CID 110935894) is 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol.
What is the SMILES notation for 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol?
The canonical SMILES for 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol is CCN(CCCO)c1cc(C)ccc1C.
What is the InChIKey of 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol?
The InChIKey is ZZNZMENXIRVXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14(8-5-9-15)13-10-11(2)6-7-12(13)3/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol?
3-(N-ethyl-2,5-dimethylanilino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-2,5-dimethylanilino)propan-1-ol is sourced from PubChem (CID 110935894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).