5-(4-fluorophenyl)-N-propylpentan-1-amine

C14H22FN — CID 65300450

IUPAC5-(4-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-2-11-16-12-5-3-4-6-13-7-9-14(15)10-8-13/h7-10,16H,2-6,11-12H2,1H3
InChIKeyMTVYJWJPMLDXGK-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.54
Rot. Bonds8

About 5-(4-fluorophenyl)-N-propylpentan-1-amine

5-(4-fluorophenyl)-N-propylpentan-1-amine (PubChem CID 65300450) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-propylpentan-1-amine
PubChem CID65300450
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name5-(4-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCNCCCCCc1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-2-11-16-12-5-3-4-6-13-7-9-14(15)10-8-13/h7-10,16H,2-6,11-12H2,1H3
InChIKeyMTVYJWJPMLDXGK-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
3-(3,5-difluorophenyl)-N-propylpropan-1-amine
CID 64504664
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-propylpentan-1-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-propylpentan-1-amine (CID 65300450) is 5-(4-fluorophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-propylpentan-1-amine is CCCNCCCCCc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-propylpentan-1-amine?
The InChIKey is MTVYJWJPMLDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-2-11-16-12-5-3-4-6-13-7-9-14(15)10-8-13/h7-10,16H,2-6,11-12H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-N-propylpentan-1-amine?
5-(4-fluorophenyl)-N-propylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 65300450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).