4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine

C12H17BrF2N2O — CID 103390195

IUPAC4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H17BrF2N2O/c1-18-7-9(3-2-4-16)17-12-10(14)5-8(13)6-11(12)15/h5-6,9,17H,2-4,7,16H2,1H3
InChIKeyUVTBKXRRDXOCJT-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.89
Rot. Bonds7

About 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine

4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine (PubChem CID 103390195) has the molecular formula C12H17BrF2N2O and a molecular weight of 323.18 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
PubChem CID103390195
Molecular FormulaC12H17BrF2N2O
Molecular Weight323.18 g/mol
Exact Mass322.05
IUPAC Name4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H17BrF2N2O/c1-18-7-9(3-2-4-16)17-12-10(14)5-8(13)6-11(12)15/h5-6,9,17H,2-4,7,16H2,1H3
InChIKeyUVTBKXRRDXOCJT-UHFFFAOYSA-N
XLogP2.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
CID 103387298
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 103388710
4-N-(2-fluoro-6-nitrophenyl)-5-methoxypentane-1,4-diamine
CID 103390453
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
5-methoxy-4-N-(3-methylsulfanylphenyl)pentane-1,4-diamine
CID 103387005
4-N-(3-fluoro-5-nitrophenyl)-5-methoxypentane-1,4-diamine
CID 107334413
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
CID 103389279

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine (CID 103390195) is 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine?
The InChIKey is UVTBKXRRDXOCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrF2N2O/c1-18-7-9(3-2-4-16)17-12-10(14)5-8(13)6-11(12)15/h5-6,9,17H,2-4,7,16H2,1H3.
What are the key properties of 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine?
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine has a molecular weight of 323.18 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103390195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).