N-[2-(4-fluorophenyl)ethyl]heptan-1-amine

C15H24FN — CID 43129180

IUPACN-[2-(4-fluorophenyl)ethyl]heptan-1-amine
SMILESCCCCCCCNCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-2-3-4-5-6-12-17-13-11-14-7-9-15(16)10-8-14/h7-10,17H,2-6,11-13H2,1H3
InChIKeyAGZYIEWQQBTJSL-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.93
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]heptan-1-amine

N-[2-(4-fluorophenyl)ethyl]heptan-1-amine (PubChem CID 43129180) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]heptan-1-amine
PubChem CID43129180
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]heptan-1-amine
SMILESCCCCCCCNCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-2-3-4-5-6-12-17-13-11-14-7-9-15(16)10-8-14/h7-10,17H,2-6,11-13H2,1H3
InChIKeyAGZYIEWQQBTJSL-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.93
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
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
4-[2-(octylamino)ethyl]aniline
CID 113337418
N-(2-phenylethyl)undecan-1-amine
CID 141108004
4-[2-(pentylamino)ethyl]phenol
CID 61236551
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-pentylguanidine
CID 111128237
11-phenyl-N-undecylundecan-1-amine
CID 175593224

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]heptan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]heptan-1-amine (CID 43129180) is N-[2-(4-fluorophenyl)ethyl]heptan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]heptan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]heptan-1-amine is CCCCCCCNCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]heptan-1-amine?
The InChIKey is AGZYIEWQQBTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-2-3-4-5-6-12-17-13-11-14-7-9-15(16)10-8-14/h7-10,17H,2-6,11-13H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]heptan-1-amine?
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]heptan-1-amine is sourced from PubChem (CID 43129180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).