3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol

C12H20N2O — CID 22706869

IUPAC3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
SMILESCCc1cc(N(C)CCCO)ccc1N
InChIInChI=1S/C12H20N2O/c1-3-10-9-11(5-6-12(10)13)14(2)7-4-8-15/h5-6,9,15H,3-4,7-8,13H2,1-2H3
InChIKeyNCHIDJNNSWJXRT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.65
Rot. Bonds5

About 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol

3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol (PubChem CID 22706869) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
PubChem CID22706869
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol
SMILESCCc1cc(N(C)CCCO)ccc1N
InChIInChI=1S/C12H20N2O/c1-3-10-9-11(5-6-12(10)13)14(2)7-4-8-15/h5-6,9,15H,3-4,7-8,13H2,1-2H3
InChIKeyNCHIDJNNSWJXRT-UHFFFAOYSA-N
XLogP1.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol?
The IUPAC name of 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol (CID 22706869) is 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol?
The canonical SMILES for 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol is CCc1cc(N(C)CCCO)ccc1N.
What is the InChIKey of 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol?
The InChIKey is NCHIDJNNSWJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-10-9-11(5-6-12(10)13)14(2)7-4-8-15/h5-6,9,15H,3-4,7-8,13H2,1-2H3.
What are the key properties of 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol?
3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-ethyl-N-methylanilino)propan-1-ol is sourced from PubChem (CID 22706869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).