1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol

C14H23BrN2O — CID 60897509

IUPAC1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Br)c(C)c1
InChIInChI=1S/C14H23BrN2O/c1-4-17(5-2)10-13(18)9-16-12-6-7-14(15)11(3)8-12/h6-8,13,16,18H,4-5,9-10H2,1-3H3
InChIKeyNBQCJXHRKQURNL-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.87
Rot. Bonds7

About 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol

1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol (PubChem CID 60897509) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
PubChem CID60897509
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Br)c(C)c1
InChIInChI=1S/C14H23BrN2O/c1-4-17(5-2)10-13(18)9-16-12-6-7-14(15)11(3)8-12/h6-8,13,16,18H,4-5,9-10H2,1-3H3
InChIKeyNBQCJXHRKQURNL-UHFFFAOYSA-N
XLogP2.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
1-(3-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60898520
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28574811
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-(4-bromo-3-methylanilino)-3-butoxypropan-2-ol
CID 107262463
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463
1-(4-bromo-3-chloroanilino)-3-(dimethylamino)propan-2-ol
CID 107619934

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol (CID 60897509) is 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNc1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol?
The InChIKey is NBQCJXHRKQURNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-17(5-2)10-13(18)9-16-12-6-7-14(15)11(3)8-12/h6-8,13,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol?
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol has a molecular weight of 315.25 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 60897509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).