N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine

C15H17ClFN3O — CID 107696313

IUPACN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
SMILESCn1c(Cl)cnc1COc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H17ClFN3O/c1-20-14(16)8-19-15(20)9-21-13-5-2-11(17)6-10(13)7-18-12-3-4-12/h2,5-6,8,12,18H,3-4,7,9H2,1H3
InChIKeyJORFBNRUUQITRA-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.04
Rot. Bonds6

About N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine

N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107696313) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID107696313
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC NameN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
SMILESCn1c(Cl)cnc1COc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H17ClFN3O/c1-20-14(16)8-19-15(20)9-21-13-5-2-11(17)6-10(13)7-18-12-3-4-12/h2,5-6,8,12,18H,3-4,7,9H2,1H3
InChIKeyJORFBNRUUQITRA-UHFFFAOYSA-N
XLogP3.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60881433
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696420
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881259
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 107696407
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
CID 60667995
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063923
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696476
N-[[2-[(5-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696450
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
CID 107696406
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine (CID 107696313) is N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine is Cn1c(Cl)cnc1COc1ccc(F)cc1CNC1CC1.
What is the InChIKey of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is JORFBNRUUQITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-20-14(16)8-19-15(20)9-21-13-5-2-11(17)6-10(13)7-18-12-3-4-12/h2,5-6,8,12,18H,3-4,7,9H2,1H3.
What are the key properties of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 309.77 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107696313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).