1-(4-bromoanilino)-3-(diethylamino)propan-2-ol

C13H21BrN2O — CID 60897805

IUPAC1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-3-16(4-2)10-13(17)9-15-12-7-5-11(14)6-8-12/h5-8,13,15,17H,3-4,9-10H2,1-2H3
InChIKeyTWHITFCEXYCHLL-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.56
Rot. Bonds7

About 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol

1-(4-bromoanilino)-3-(diethylamino)propan-2-ol (PubChem CID 60897805) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
PubChem CID60897805
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-3-16(4-2)10-13(17)9-15-12-7-5-11(14)6-8-12/h5-8,13,15,17H,3-4,9-10H2,1-2H3
InChIKeyTWHITFCEXYCHLL-UHFFFAOYSA-N
XLogP2.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromoanilino)-3-(diethylamino)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-(diethylamino)-3-(4-ethylanilino)propan-2-ol
CID 60900874
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
CID 83108692
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol
CID 53486765
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
CID 60899997

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol (CID 60897805) is 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol?
The InChIKey is TWHITFCEXYCHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-3-16(4-2)10-13(17)9-15-12-7-5-11(14)6-8-12/h5-8,13,15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol?
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 60897805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).