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

C14H23FN2 — CID 43136264

IUPACN'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(CCCN)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2/c1-2-3-4-11-17(12-5-10-16)14-8-6-13(15)7-9-14/h6-9H,2-5,10-12,16H2,1H3
InChIKeyYMEATTLYLOMAMH-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.17
Rot. Bonds8

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

N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine (PubChem CID 43136264) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
PubChem CID43136264
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(CCCN)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2/c1-2-3-4-11-17(12-5-10-16)14-8-6-13(15)7-9-14/h6-9H,2-5,10-12,16H2,1H3
InChIKeyYMEATTLYLOMAMH-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.17
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'-hexylpropane-1,3-diamine
CID 43136281
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
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
1,4-difluorobenzene;heptan-1-amine
CID 143706023
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine (CID 43136264) is N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine is CCCCCN(CCCN)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine?
The InChIKey is YMEATTLYLOMAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-2-3-4-11-17(12-5-10-16)14-8-6-13(15)7-9-14/h6-9H,2-5,10-12,16H2,1H3.
What are the key properties of N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine?
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine is sourced from PubChem (CID 43136264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).