N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine

C13H19FN2 — CID 43137498

IUPACN'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C13H19FN2/c14-12-4-1-3-11(9-12)10-16(8-2-7-15)13-5-6-13/h1,3-4,9,13H,2,5-8,10,15H2
InChIKeyXZFYGLFPEGBDBK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.14
Rot. Bonds6

About N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine

N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine (PubChem CID 43137498) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
PubChem CID43137498
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C13H19FN2/c14-12-4-1-3-11(9-12)10-16(8-2-7-15)13-5-6-13/h1,3-4,9,13H,2,5-8,10,15H2
InChIKeyXZFYGLFPEGBDBK-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 59862645
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
CID 110008215
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
2-[cyclopropyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008170
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine
CID 120750917
N'-benzyl-N'-(1,1-dioxothian-4-yl)propane-1,3-diamine
CID 107365146
N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648928
N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875025
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine (CID 43137498) is N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine is NCCCN(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine?
The InChIKey is XZFYGLFPEGBDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-12-4-1-3-11(9-12)10-16(8-2-7-15)13-5-6-13/h1,3-4,9,13H,2,5-8,10,15H2.
What are the key properties of N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine has a molecular weight of 222.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 43137498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).