2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol

C14H22BrNO — CID 62774572

IUPAC2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol
SMILESCCC(O)(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-14(17,10-16-9-11(2)3)12-5-7-13(15)8-6-12/h5-8,11,16-17H,4,9-10H2,1-3H3
InChIKeyGRTUAZXEQVPTCX-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol

2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol (PubChem CID 62774572) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol
PubChem CID62774572
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol
SMILESCCC(O)(CNCC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-4-14(17,10-16-9-11(2)3)12-5-7-13(15)8-6-12/h5-8,11,16-17H,4,9-10H2,1-3H3
InChIKeyGRTUAZXEQVPTCX-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol (CID 62774572) is 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol is CCC(O)(CNCC(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol?
The InChIKey is GRTUAZXEQVPTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-14(17,10-16-9-11(2)3)12-5-7-13(15)8-6-12/h5-8,11,16-17H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol?
2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol has a molecular weight of 300.24 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 62774572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).