N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine

C14H16FN3 — CID 106533126

IUPACN-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1nccn1-c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C14H16FN3/c1-10-16-4-5-18(10)14-7-11(6-12(15)8-14)9-17-13-2-3-13/h4-8,13,17H,2-3,9H2,1H3
InChIKeyHSXFZTIWNBJQCV-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.57
Rot. Bonds4

About N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106533126) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID106533126
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
SMILESCc1nccn1-c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C14H16FN3/c1-10-16-4-5-18(10)14-7-11(6-12(15)8-14)9-17-13-2-3-13/h4-8,13,17H,2-3,9H2,1H3
InChIKeyHSXFZTIWNBJQCV-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533217
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828
N-[[6-methyl-4-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81253130
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine
CID 106533182
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 61405500
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine (CID 106533126) is N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine is Cc1nccn1-c1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is HSXFZTIWNBJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-16-4-5-18(10)14-7-11(6-12(15)8-14)9-17-13-2-3-13/h4-8,13,17H,2-3,9H2,1H3.
What are the key properties of N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 245.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).