2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine

C15H22BrF2N — CID 106271410

IUPAC2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNCC)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H22BrF2N/c1-4-8-15(3,10-19-5-2)9-11-13(17)7-6-12(16)14(11)18/h6-7,19H,4-5,8-10H2,1-3H3
InChIKeyGFJCJOWDNWGZHF-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.69
Rot. Bonds7

About 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine

2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine (PubChem CID 106271410) has the molecular formula C15H22BrF2N and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
PubChem CID106271410
Molecular FormulaC15H22BrF2N
Molecular Weight334.25 g/mol
Exact Mass333.09
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNCC)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H22BrF2N/c1-4-8-15(3,10-19-5-2)9-11-13(17)7-6-12(16)14(11)18/h6-7,19H,4-5,8-10H2,1-3H3
InChIKeyGFJCJOWDNWGZHF-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 114166681
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 106273886
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
3-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 106271326
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
CID 106943818
4-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 106273338
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 106271309

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine (CID 106271410) is 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine is CCCC(C)(CNCC)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine?
The InChIKey is GFJCJOWDNWGZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF2N/c1-4-8-15(3,10-19-5-2)9-11-13(17)7-6-12(16)14(11)18/h6-7,19H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine?
2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine has a molecular weight of 334.25 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 106271410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).