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

C13H21BrN2O — CID 60898520

IUPAC1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cccc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-3-16(4-2)10-13(17)9-15-12-7-5-6-11(14)8-12/h5-8,13,15,17H,3-4,9-10H2,1-2H3
InChIKeyTVGPSFOXLKWREV-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.56
Rot. Bonds7

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

1-(3-bromoanilino)-3-(diethylamino)propan-2-ol (PubChem CID 60898520) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
PubChem CID60898520
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1cccc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-3-16(4-2)10-13(17)9-15-12-7-5-6-11(14)8-12/h5-8,13,15,17H,3-4,9-10H2,1-2H3
InChIKeyTVGPSFOXLKWREV-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

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Related Compounds

(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
CID 60900874
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
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol (CID 60898520) is 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol?
The InChIKey is TVGPSFOXLKWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-3-16(4-2)10-13(17)9-15-12-7-5-6-11(14)8-12/h5-8,13,15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3-bromoanilino)-3-(diethylamino)propan-2-ol?
1-(3-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-(3-bromoanilino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 60898520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).