1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol

C13H22N2O — CID 60902054

IUPAC1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
SMILESCCc1cccc(NCC(O)CN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-4-11-6-5-7-12(8-11)14-9-13(16)10-15(2)3/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyPTZYMSULZDLYEB-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.58
Rot. Bonds6

About 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol

1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol (PubChem CID 60902054) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
PubChem CID60902054
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol
SMILESCCc1cccc(NCC(O)CN(C)C)c1
InChIInChI=1S/C13H22N2O/c1-4-11-6-5-7-12(8-11)14-9-13(16)10-15(2)3/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyPTZYMSULZDLYEB-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dimethylamino)-3-(3-propan-2-ylanilino)propan-2-ol
CID 60900023
1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900514
2-(3-ethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901862
1-(4-bromophenoxy)-3-(3-ethylanilino)propan-2-ol
CID 60720359
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
CID 107619934
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
methyl 3-(3-ethylanilino)-2-methylpropanoate
CID 43538563
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
1-(3-ethylanilino)ethanol
CID 174601913

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol (CID 60902054) is 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol is CCc1cccc(NCC(O)CN(C)C)c1.
What is the InChIKey of 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol?
The InChIKey is PTZYMSULZDLYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-11-6-5-7-12(8-11)14-9-13(16)10-15(2)3/h5-8,13-14,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol?
1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(3-ethylanilino)propan-2-ol is sourced from PubChem (CID 60902054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).