N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine

C14H18FN3 — CID 43126802

IUPACN-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-12(13-5-2-3-6-14(13)15)17-7-4-9-18-10-8-16-11-18/h2-3,5-6,8,10-12,17H,4,7,9H2,1H3
InChIKeyMHHLYLOQTLTWJE-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.76
Rot. Bonds6

About N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine

N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 43126802) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID43126802
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-12(13-5-2-3-6-14(13)15)17-7-4-9-18-10-8-16-11-18/h2-3,5-6,8,10-12,17H,4,7,9H2,1H3
InChIKeyMHHLYLOQTLTWJE-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
(2S)-N-(3-imidazol-1-ylpropyl)-1-(2-methylphenyl)propan-2-amine
CID 97228959
1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 75483187
1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
1-(2,4-dichloro-5-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 60694556
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
CID 43478949

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine (CID 43126802) is N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine is CC(NCCCn1ccnc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is MHHLYLOQTLTWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-12(13-5-2-3-6-14(13)15)17-7-4-9-18-10-8-16-11-18/h2-3,5-6,8,10-12,17H,4,7,9H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 43126802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).