1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol

C13H19BrFNO — CID 103773692

IUPAC1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccc(Br)c(F)c1
InChIInChI=1S/C13H19BrFNO/c1-3-6-13(2,17)9-16-8-10-4-5-11(14)12(15)7-10/h4-5,7,16-17H,3,6,8-9H2,1-2H3
InChIKeyBQDHRYPWOHNASW-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.23
Rot. Bonds6

About 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol

1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol (PubChem CID 103773692) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
PubChem CID103773692
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccc(Br)c(F)c1
InChIInChI=1S/C13H19BrFNO/c1-3-6-13(2,17)9-16-8-10-4-5-11(14)12(15)7-10/h4-5,7,16-17H,3,6,8-9H2,1-2H3
InChIKeyBQDHRYPWOHNASW-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-2-ol
CID 113344535
1-[(3-fluoro-4-nitrophenyl)methylamino]-2-methylpentan-2-ol
CID 106293013
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 113251429
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
N-[(4-bromo-3-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115702697
3-[(3,4-difluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170453
2-methyl-1-[(2,4,5-trifluorophenyl)methylamino]pentan-2-ol
CID 113263596
N-[(4-bromo-3-fluorophenyl)methyl]hexan-1-amine
CID 81436257
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103699421
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
1-bromo-4-(2,2-dimethylpropyl)-2-fluorobenzene
CID 168841969

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol (CID 103773692) is 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol?
The InChIKey is BQDHRYPWOHNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-3-6-13(2,17)9-16-8-10-4-5-11(14)12(15)7-10/h4-5,7,16-17H,3,6,8-9H2,1-2H3.
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol?
1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol has a molecular weight of 304.20 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 103773692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).