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

C11H16BrNO — CID 61056533

IUPAC2-(4-bromophenyl)-2-(methylamino)butan-1-ol
SMILESCCC(CO)(NC)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-3-11(8-14,13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyNIRPGFYZTDKWIC-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.27
Rot. Bonds4

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

2-(4-bromophenyl)-2-(methylamino)butan-1-ol (PubChem CID 61056533) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(methylamino)butan-1-ol
PubChem CID61056533
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(4-bromophenyl)-2-(methylamino)butan-1-ol
SMILESCCC(CO)(NC)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-3-11(8-14,13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3
InChIKeyNIRPGFYZTDKWIC-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-(methylamino)butan-1-ol
CID 61055510
2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
CID 61046914
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
2-(4-bromophenyl)-1-(methylamino)butan-2-ol
CID 62773006
methyl 2-(4-bromophenyl)-2-(methylamino)butanoate
CID 60787393
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
2-(4-bromophenyl)-2-ethylbutanal
CID 86672302
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
2-amino-2-(4-bromophenyl)propane-1,3-diol
CID 130045533
2-(4-bromophenyl)-2-[(4-ethylphenyl)methyl]propane-1,3-diol
CID 79445511
3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 81411129

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-2-(methylamino)butan-1-ol (CID 61056533) is 2-(4-bromophenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-2-(methylamino)butan-1-ol is CCC(CO)(NC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(methylamino)butan-1-ol?
The InChIKey is NIRPGFYZTDKWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-11(8-14,13-2)9-4-6-10(12)7-5-9/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-2-(methylamino)butan-1-ol?
2-(4-bromophenyl)-2-(methylamino)butan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 61056533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).