N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine

C14H21FN2O — CID 63936220

IUPACN'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESNCCCN(c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C14H21FN2O/c15-12-3-1-4-14(11-12)17(8-2-7-16)13-5-9-18-10-6-13/h1,3-4,11,13H,2,5-10,16H2
InChIKeyKWKMSZAIXMQALF-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.16
Rot. Bonds5

About N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine

N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 63936220) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID63936220
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine
SMILESNCCCN(c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C14H21FN2O/c15-12-3-1-4-14(11-12)17(8-2-7-16)13-5-9-18-10-6-13/h1,3-4,11,13H,2,5-10,16H2
InChIKeyKWKMSZAIXMQALF-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine (CID 63936220) is N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine is NCCCN(c1cccc(F)c1)C1CCOCC1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is KWKMSZAIXMQALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-12-3-1-4-14(11-12)17(8-2-7-16)13-5-9-18-10-6-13/h1,3-4,11,13H,2,5-10,16H2.
What are the key properties of N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine?
N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 252.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 63936220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).