1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine

C11H16F2N2 — CID 116933552

IUPAC1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C11H16F2N2/c1-11(2,15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5,10H,6,14-15H2,1-2H3
InChIKeyMWUSUASCVXOPKV-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.09
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine

1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine (PubChem CID 116933552) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
PubChem CID116933552
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
SMILESCC(C)(N)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C11H16F2N2/c1-11(2,15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5,10H,6,14-15H2,1-2H3
InChIKeyMWUSUASCVXOPKV-UHFFFAOYSA-N
XLogP2.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616
1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
CID 116934749
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 107523950
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
1-(4-fluoro-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933519
4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine
CID 83911513
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine (CID 116933552) is 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine is CC(C)(N)CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine?
The InChIKey is MWUSUASCVXOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-11(2,15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5,10H,6,14-15H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine?
1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 116933552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).