2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol

C15H21BrF3NO — CID 143295079

IUPAC2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
SMILESCNC(c1cccc(Br)c1)C(O)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H21BrF3NO/c1-13(2,3)9-14(21,15(17,18)19)12(20-4)10-6-5-7-11(16)8-10/h5-8,12,20-21H,9H2,1-4H3
InChIKeyZLVNRRAJTCYWFS-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.44
Rot. Bonds4

About 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol

2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol (PubChem CID 143295079) has the molecular formula C15H21BrF3NO and a molecular weight of 368.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
PubChem CID143295079
Molecular FormulaC15H21BrF3NO
Molecular Weight368.24 g/mol
Exact Mass367.08
IUPAC Name2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
SMILESCNC(c1cccc(Br)c1)C(O)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H21BrF3NO/c1-13(2,3)9-14(21,15(17,18)19)12(20-4)10-6-5-7-11(16)8-10/h5-8,12,20-21H,9H2,1-4H3
InChIKeyZLVNRRAJTCYWFS-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62395894
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
1-(3-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
CID 156764796
1-bromo-1-(3-bromophenyl)-N-methylmethanamine
CID 116961987
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 113362913
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81376845

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
The IUPAC name of 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol (CID 143295079) is 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
The canonical SMILES for 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol is CNC(c1cccc(Br)c1)C(O)(CC(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
The InChIKey is ZLVNRRAJTCYWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3NO/c1-13(2,3)9-14(21,15(17,18)19)12(20-4)10-6-5-7-11(16)8-10/h5-8,12,20-21H,9H2,1-4H3.
What are the key properties of 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol has a molecular weight of 368.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)-(methylamino)methyl]-1,1,1-trifluoro-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 143295079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).