N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine

C15H25FN2 — CID 43136281

IUPACN'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
SMILESCCCCCCN(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-2-3-4-5-12-18(13-6-11-17)15-9-7-14(16)8-10-15/h7-10H,2-6,11-13,17H2,1H3
InChIKeyMQNAHVJLKLQVOE-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.56
Rot. Bonds9

About N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine

N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine (PubChem CID 43136281) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
PubChem CID43136281
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
SMILESCCCCCCN(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-2-3-4-5-12-18(13-6-11-17)15-9-7-14(16)8-10-15/h7-10H,2-6,11-13,17H2,1H3
InChIKeyMQNAHVJLKLQVOE-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.56
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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Related Compounds

N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
4-fluoro-N,N-dioctylaniline
CID 91747748
N,N-dibutyl-4-fluoroaniline
CID 15399711
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
1,4-difluorobenzene;heptan-1-amine
CID 143706023
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
N'-(4-fluorophenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552293
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
N'-[(4-ethylphenyl)methyl]-N'-(4-fluorophenyl)propane-1,3-diamine
CID 28770757
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
N,N-diheptyl-4-methylaniline
CID 20558578
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine (CID 43136281) is N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine is CCCCCCN(CCCN)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine?
The InChIKey is MQNAHVJLKLQVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-2-3-4-5-12-18(13-6-11-17)15-9-7-14(16)8-10-15/h7-10H,2-6,11-13,17H2,1H3.
What are the key properties of N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine?
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine is sourced from PubChem (CID 43136281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).