N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine

C12H19FN2 — CID 3154227

IUPACN-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-15(2)9-3-8-14-10-11-4-6-12(13)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyZWWMYTHOWTVQTQ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 3154227) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID3154227
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-15(2)9-3-8-14-10-11-4-6-12(13)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKeyZWWMYTHOWTVQTQ-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 3154227) is N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ZWWMYTHOWTVQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-15(2)9-3-8-14-10-11-4-6-12(13)7-5-11/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 210.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 3154227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).