1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine

C13H20F2N2 — CID 115203931

IUPAC1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)Cc1cc(F)ccc1F
InChIInChI=1S/C13H20F2N2/c1-10(16)4-3-7-17(2)9-11-8-12(14)5-6-13(11)15/h5-6,8,10H,3-4,7,9,16H2,1-2H3
InChIKeySUWPZOCGESZTSB-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.52
Rot. Bonds6

About 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine

1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine (PubChem CID 115203931) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
PubChem CID115203931
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)Cc1cc(F)ccc1F
InChIInChI=1S/C13H20F2N2/c1-10(16)4-3-7-17(2)9-11-8-12(14)5-6-13(11)15/h5-6,8,10H,3-4,7,9,16H2,1-2H3
InChIKeySUWPZOCGESZTSB-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
CID 115236590
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
3-[(2,5-difluorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 55148841
N'-[(5-fluoro-2-nitrophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 81493923
4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pentanamide;hydrochloride
CID 120563897
1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine
CID 81189091
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-fluorophenol
CID 107701908
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 102620239
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine (CID 115203931) is 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine is CC(N)CCCN(C)Cc1cc(F)ccc1F.
What is the InChIKey of 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine?
The InChIKey is SUWPZOCGESZTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-10(16)4-3-7-17(2)9-11-8-12(14)5-6-13(11)15/h5-6,8,10H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine?
1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,5-difluorophenyl)methyl]-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 115203931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).