1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol

C13H20BrNO2 — CID 4728858

IUPAC1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
SMILESCCC(C)NCC(O)COc1ccccc1Br
InChIInChI=1S/C13H20BrNO2/c1-3-10(2)15-8-11(16)9-17-13-7-5-4-6-12(13)14/h4-7,10-11,15-16H,3,8-9H2,1-2H3
InChIKeyQWDDRPZMTYMDKH-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.58
Rot. Bonds7

About 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol

1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol (PubChem CID 4728858) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
PubChem CID4728858
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
SMILESCCC(C)NCC(O)COc1ccccc1Br
InChIInChI=1S/C13H20BrNO2/c1-3-10(2)15-8-11(16)9-17-13-7-5-4-6-12(13)14/h4-7,10-11,15-16H,3,8-9H2,1-2H3
InChIKeyQWDDRPZMTYMDKH-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-(2-bromo-4-methylphenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 60633111
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
1-(1,2-benzothiazol-4-yloxy)-3-(butan-2-ylamino)propan-2-ol
CID 3051857
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
(2R)-1-(2-bromophenoxy)-3-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 98734889
1-(butan-2-ylamino)-3-(1-phenylindazol-4-yl)oxypropan-2-ol
CID 10830953

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol (CID 4728858) is 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol is CCC(C)NCC(O)COc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol?
The InChIKey is QWDDRPZMTYMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-3-10(2)15-8-11(16)9-17-13-7-5-4-6-12(13)14/h4-7,10-11,15-16H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol?
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol is sourced from PubChem (CID 4728858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).