1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol

C15H24BrNO2 — CID 115627467

IUPAC1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
SMILESCC(NCC(O)COc1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C15H24BrNO2/c1-11(15(2,3)4)17-9-13(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13,17-18H,9-10H2,1-4H3
InChIKeyMQKYKIYNLVBPHI-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.21
Rot. Bonds6

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

1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol (PubChem CID 115627467) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
PubChem CID115627467
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
SMILESCC(NCC(O)COc1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C15H24BrNO2/c1-11(15(2,3)4)17-9-13(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13,17-18H,9-10H2,1-4H3
InChIKeyMQKYKIYNLVBPHI-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-bromophenoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83143273
methyl 2-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910249
1-(4-bromophenoxy)-3-(2-cyclopropylpropan-2-ylamino)propan-2-ol
CID 104577850
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
N-[2-(4-bromophenoxy)ethyl]-3,3-dimethylbutan-2-amine
CID 113236178
1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 60632771
1-(4-bromophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635405
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-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
1-[2-(4-bromophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol chloride
CID 53347434

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol (CID 115627467) is 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol is CC(NCC(O)COc1ccc(Br)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol?
The InChIKey is MQKYKIYNLVBPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-11(15(2,3)4)17-9-13(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13,17-18H,9-10H2,1-4H3.
What are the key properties of 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol?
1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 115627467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).