1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol

C15H22BrNO2 — CID 104577850

IUPAC1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol
SMILESCC(C)(NCC(O)COc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-15(2,11-3-4-11)17-9-13(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13,17-18H,3-4,9-10H2,1-2H3
InChIKeyMIHDVKLTYKSJLR-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.97
Rot. Bonds7

About 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol

1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol (PubChem CID 104577850) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol
PubChem CID104577850
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol
SMILESCC(C)(NCC(O)COc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-15(2,11-3-4-11)17-9-13(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13,17-18H,3-4,9-10H2,1-2H3
InChIKeyMIHDVKLTYKSJLR-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
CID 115627467
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83143273
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-(2-cyclopropylpropan-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 104577915
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276298
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-[[4-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 70641431

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol (CID 104577850) is 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol is CC(C)(NCC(O)COc1ccc(Br)cc1)C1CC1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol?
The InChIKey is MIHDVKLTYKSJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-15(2,11-3-4-11)17-9-13(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13,17-18H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol?
1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol has a molecular weight of 328.25 g/mol, XLogP of 2.97, 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-cyclopropylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 104577850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).