1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol

C16H26BrNO2 — CID 83143273

IUPAC1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
SMILESCC(CNCC(O)COc1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C16H26BrNO2/c1-12(16(2,3)4)9-18-10-14(19)11-20-15-7-5-13(17)6-8-15/h5-8,12,14,18-19H,9-11H2,1-4H3
InChIKeyDLQWUVAYMGDGBI-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.46
Rot. Bonds7

About 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol

1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol (PubChem CID 83143273) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
PubChem CID83143273
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
SMILESCC(CNCC(O)COc1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C16H26BrNO2/c1-12(16(2,3)4)9-18-10-14(19)11-20-15-7-5-13(17)6-8-15/h5-8,12,14,18-19H,9-11H2,1-4H3
InChIKeyDLQWUVAYMGDGBI-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)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-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
CID 115627467
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276298
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-bromophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938591
1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
CID 10359618
1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol
CID 104577850
methyl 2-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910249
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(4-bromophenoxy)-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 60744441
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol (CID 83143273) is 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol is CC(CNCC(O)COc1ccc(Br)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The InChIKey is DLQWUVAYMGDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-12(16(2,3)4)9-18-10-14(19)11-20-15-7-5-13(17)6-8-15/h5-8,12,14,18-19H,9-11H2,1-4H3.
What are the key properties of 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol?
1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol has a molecular weight of 344.29 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol is sourced from PubChem (CID 83143273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).