N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine

C13H20F2N2 — CID 113410212

IUPACN'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCc1cccc(F)c1F
InChIInChI=1S/C13H20F2N2/c1-2-7-16-8-4-9-17-10-11-5-3-6-12(14)13(11)15/h3,5-6,16-17H,2,4,7-10H2,1H3
InChIKeyVFAPBWVWWMKNSL-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.44
Rot. Bonds8

About N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine

N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine (PubChem CID 113410212) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
PubChem CID113410212
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC NameN'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
SMILESCCCNCCCNCc1cccc(F)c1F
InChIInChI=1S/C13H20F2N2/c1-2-7-16-8-4-9-17-10-11-5-3-6-12(14)13(11)15/h3,5-6,16-17H,2,4,7-10H2,1H3
InChIKeyVFAPBWVWWMKNSL-UHFFFAOYSA-N
XLogP2.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine
CID 115632625
ethyl 4-[(2,3-difluorophenyl)methylamino]butanoate
CID 60720227
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
(E)-N-[(2,3-difluorophenyl)methyl]pent-3-en-1-amine
CID 115629131
N-[[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43659086
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43658842
N-[(2,3-difluorophenyl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 63668247
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine?
The IUPAC name of N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine (CID 113410212) is N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine is CCCNCCCNCc1cccc(F)c1F.
What is the InChIKey of N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine?
The InChIKey is VFAPBWVWWMKNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-2-7-16-8-4-9-17-10-11-5-3-6-12(14)13(11)15/h3,5-6,16-17H,2,4,7-10H2,1H3.
What are the key properties of N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine?
N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine is sourced from PubChem (CID 113410212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).