1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

C16H28N2O3 — CID 115377776

IUPAC1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNc1cccc(N(C)C)c1
InChIInChI=1S/C16H28N2O3/c1-13(2)21-9-8-20-12-16(19)11-17-14-6-5-7-15(10-14)18(3)4/h5-7,10,13,16-17,19H,8-9,11-12H2,1-4H3
InChIKeyWHSNSTXOCKTFKB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.97
Rot. Bonds10

About 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 115377776) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID115377776
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNc1cccc(N(C)C)c1
InChIInChI=1S/C16H28N2O3/c1-13(2)21-9-8-20-12-16(19)11-17-14-6-5-7-15(10-14)18(3)4/h5-7,10,13,16-17,19H,8-9,11-12H2,1-4H3
InChIKeyWHSNSTXOCKTFKB-UHFFFAOYSA-N
XLogP1.97
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)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-(4-propan-2-ylanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60896578
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
CID 103158165
3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
CID 114281857
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-(2-propan-2-yloxyethoxy)-3-(2,4,5-trichloroanilino)propan-2-ol
CID 60896346
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 115377776) is 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNc1cccc(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is WHSNSTXOCKTFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(2)21-9-8-20-12-16(19)11-17-14-6-5-7-15(10-14)18(3)4/h5-7,10,13,16-17,19H,8-9,11-12H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 115377776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).