1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine

C13H19BrFNO — CID 123551624

IUPAC1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFNO/c1-9(2)7-13(3,16)8-17-12-5-4-10(14)6-11(12)15/h4-6,9H,7-8,16H2,1-3H3
InChIKeyJCVIDDDEWKVTRT-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine

1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine (PubChem CID 123551624) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine
PubChem CID123551624
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc(Br)cc1F
InChIInChI=1S/C13H19BrFNO/c1-9(2)7-13(3,16)8-17-12-5-4-10(14)6-11(12)15/h4-6,9H,7-8,16H2,1-3H3
InChIKeyJCVIDDDEWKVTRT-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate
CID 175072590
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
CID 130721910
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
(2S)-1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429797
(2S)-1-[2-fluoro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]-2,4-dimethylpentan-2-amine
CID 152526208
4-[4-(2-amino-2,4-dimethylpentoxy)-3-fluorophenyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 135284768
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 119523767
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
2-[(4-bromo-2-fluorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65011633

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine (CID 123551624) is 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine is CC(C)CC(C)(N)COc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine?
The InChIKey is JCVIDDDEWKVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-9(2)7-13(3,16)8-17-12-5-4-10(14)6-11(12)15/h4-6,9H,7-8,16H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine?
1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine has a molecular weight of 304.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 123551624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).