3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol

C14H22BrNO2 — CID 113362913

IUPAC3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-13(2,14(3,4)18)16-9-12(17)10-6-5-7-11(15)8-10/h5-8,12,16-18H,9H2,1-4H3
InChIKeyAYWNGNYQSRKWBV-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.62
Rot. Bonds5

About 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol

3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 113362913) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
PubChem CID113362913
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO2/c1-13(2,14(3,4)18)16-9-12(17)10-6-5-7-11(15)8-10/h5-8,12,16-18H,9H2,1-4H3
InChIKeyAYWNGNYQSRKWBV-UHFFFAOYSA-N
XLogP2.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol
CID 63487848
1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
CID 60897660
1-(3-bromophenyl)-2-(4-propylanilino)ethanol
CID 60909148
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901239
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol (CID 113362913) is 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCC(O)c1cccc(Br)c1.
What is the InChIKey of 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is AYWNGNYQSRKWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-13(2,14(3,4)18)16-9-12(17)10-6-5-7-11(15)8-10/h5-8,12,16-18H,9H2,1-4H3.
What are the key properties of 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 316.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 113362913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).