1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol

C13H21NO2 — CID 79387446

IUPAC1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(CO)cc1
InChIInChI=1S/C13H21NO2/c1-4-14(10-13(2,3)16)12-7-5-11(9-15)6-8-12/h5-8,15-16H,4,9-10H2,1-3H3
InChIKeyDJQNPPFHNXDKAT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds5

About 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol

1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol (PubChem CID 79387446) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol
PubChem CID79387446
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(CO)cc1
InChIInChI=1S/C13H21NO2/c1-4-14(10-13(2,3)16)12-7-5-11(9-15)6-8-12/h5-8,15-16H,4,9-10H2,1-3H3
InChIKeyDJQNPPFHNXDKAT-UHFFFAOYSA-N
XLogP1.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-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-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
CID 113295462
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387897
1-[ethyl-[4-(hydroxymethyl)-3-pyridinyl]amino]-2-methylpropan-2-ol
CID 105066912
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64789337
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021

Frequently Asked Questions

What is the IUPAC name of 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol (CID 79387446) is 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(CO)cc1.
What is the InChIKey of 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
The InChIKey is DJQNPPFHNXDKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14(10-13(2,3)16)12-7-5-11(9-15)6-8-12/h5-8,15-16H,4,9-10H2,1-3H3.
What are the key properties of 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79387446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).