N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine

C15H18FN3 — CID 66163741

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1cncn1C1CC1)c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-11(14-4-2-3-5-15(14)16)18-9-13-8-17-10-19(13)12-6-7-12/h2-5,8,10-12,18H,6-7,9H2,1H3
InChIKeyRTTAVRKCOXXKQX-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.21
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 66163741) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID66163741
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1cncn1C1CC1)c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-11(14-4-2-3-5-15(14)16)18-9-13-8-17-10-19(13)12-6-7-12/h2-5,8,10-12,18H,6-7,9H2,1H3
InChIKeyRTTAVRKCOXXKQX-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine (CID 66163741) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NCc1cncn1C1CC1)c1ccccc1F.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is RTTAVRKCOXXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11(14-4-2-3-5-15(14)16)18-9-13-8-17-10-19(13)12-6-7-12/h2-5,8,10-12,18H,6-7,9H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 259.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 66163741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).