N-[3-(4-fluorophenyl)propyl]aniline

C15H16FN — CID 91405958

IUPACN-[3-(4-fluorophenyl)propyl]aniline
SMILESFc1ccc(CCCNc2ccccc2)cc1
InChIInChI=1S/C15H16FN/c16-14-10-8-13(9-11-14)5-4-12-17-15-6-2-1-3-7-15/h1-3,6-11,17H,4-5,12H2
InChIKeyAEIKLLZQCOQALJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.87
Rot. Bonds5

About N-[3-(4-fluorophenyl)propyl]aniline

N-[3-(4-fluorophenyl)propyl]aniline (PubChem CID 91405958) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]aniline
PubChem CID91405958
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-[3-(4-fluorophenyl)propyl]aniline
SMILESFc1ccc(CCCNc2ccccc2)cc1
InChIInChI=1S/C15H16FN/c16-14-10-8-13(9-11-14)5-4-12-17-15-6-2-1-3-7-15/h1-3,6-11,17H,4-5,12H2
InChIKeyAEIKLLZQCOQALJ-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.87
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

N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine;oxalic acid
CID 17078916
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
3-(3-phenylpropylamino)phenol
CID 28722963
ethane;N-(2-phenylethyl)aniline
CID 91194556
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]aniline?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]aniline (CID 91405958) is N-[3-(4-fluorophenyl)propyl]aniline.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]aniline?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]aniline is Fc1ccc(CCCNc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]aniline?
The InChIKey is AEIKLLZQCOQALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c16-14-10-8-13(9-11-14)5-4-12-17-15-6-2-1-3-7-15/h1-3,6-11,17H,4-5,12H2.
What are the key properties of N-[3-(4-fluorophenyl)propyl]aniline?
N-[3-(4-fluorophenyl)propyl]aniline has a molecular weight of 229.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]aniline is sourced from PubChem (CID 91405958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).