(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine

C13H15ClFN3 — CID 61316093

IUPAC(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3/c1-2-6-18-7-5-17-13(18)12(16)10-4-3-9(14)8-11(10)15/h3-5,7-8,12H,2,6,16H2,1H3
InChIKeyYHRFBFHZWWWARW-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.13
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine

(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 61316093) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
PubChem CID61316093
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3/c1-2-6-18-7-5-17-13(18)12(16)10-4-3-9(14)8-11(10)15/h3-5,7-8,12H,2,6,16H2,1H3
InChIKeyYHRFBFHZWWWARW-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 106689402
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685
(1-propylimidazol-2-yl)-quinoxalin-5-ylmethanamine
CID 104615599
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 79808047
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307653
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314413

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine (CID 61316093) is (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is YHRFBFHZWWWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-6-18-7-5-17-13(18)12(16)10-4-3-9(14)8-11(10)15/h3-5,7-8,12H,2,6,16H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine?
(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 267.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 61316093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).