N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine

C15H25FN2 — CID 120842908

IUPACN'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCC(CN(C)CC(C)(C)CN)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-12(13-5-7-14(16)8-6-13)9-18(4)11-15(2,3)10-17/h5-8,12H,9-11,17H2,1-4H3
InChIKeyYQXSUSNVLAFGJI-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.85
Rot. Bonds6

About N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 120842908) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID120842908
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCC(CN(C)CC(C)(C)CN)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-12(13-5-7-14(16)8-6-13)9-18(4)11-15(2,3)10-17/h5-8,12H,9-11,17H2,1-4H3
InChIKeyYQXSUSNVLAFGJI-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine (CID 120842908) is N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine is CC(CN(C)CC(C)(C)CN)c1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is YQXSUSNVLAFGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(13-5-7-14(16)8-6-13)9-18(4)11-15(2,3)10-17/h5-8,12H,9-11,17H2,1-4H3.
What are the key properties of N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 120842908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).