1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine

C12H18F2N2 — CID 116934749

IUPAC1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
SMILESCC(C)(N)CCC(N)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2/c1-12(2,16)6-5-11(15)9-7-8(13)3-4-10(9)14/h3-4,7,11H,5-6,15-16H2,1-2H3
InChIKeyJJQNFXNHEKJZDT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.48
Rot. Bonds4

About 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine

1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine (PubChem CID 116934749) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
PubChem CID116934749
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine
SMILESCC(C)(N)CCC(N)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2/c1-12(2,16)6-5-11(15)9-7-8(13)3-4-10(9)14/h3-4,7,11H,5-6,15-16H2,1-2H3
InChIKeyJJQNFXNHEKJZDT-UHFFFAOYSA-N
XLogP2.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
1-(2-bromo-5-fluorophenyl)-4,4-dimethylpentan-1-amine
CID 115850151
1-(2,5-difluorophenyl)hex-4-yn-1-amine
CID 104805650
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
1-(2,5-difluorophenyl)pent-4-yn-1-amine
CID 63672748
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine (CID 116934749) is 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine is CC(C)(N)CCC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine?
The InChIKey is JJQNFXNHEKJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-12(2,16)6-5-11(15)9-7-8(13)3-4-10(9)14/h3-4,7,11H,5-6,15-16H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine?
1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-4-methylpentane-1,4-diamine is sourced from PubChem (CID 116934749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).