N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine

C13H21FN2 — CID 107367851

IUPACN'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
SMILESNCCCN(CCCF)Cc1ccccc1
InChIInChI=1S/C13H21FN2/c14-8-4-10-16(11-5-9-15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,15H2
InChIKeyIEHXSIGVNFGYEV-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.20
Rot. Bonds8

About N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine

N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine (PubChem CID 107367851) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
PubChem CID107367851
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
SMILESNCCCN(CCCF)Cc1ccccc1
InChIInChI=1S/C13H21FN2/c14-8-4-10-16(11-5-9-15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,15H2
InChIKeyIEHXSIGVNFGYEV-UHFFFAOYSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
N'-benzyl-N'-[(2-bromo-4-fluorophenyl)methyl]propane-1,3-diamine
CID 107367498
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
N-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine (CID 107367851) is N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine is NCCCN(CCCF)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine?
The InChIKey is IEHXSIGVNFGYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c14-8-4-10-16(11-5-9-15)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,15H2.
What are the key properties of N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine?
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine is sourced from PubChem (CID 107367851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).