N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

C16H21ClFN3 — CID 61317545

IUPACN-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1Cl)c1nccn1CCC
InChIInChI=1S/C16H21ClFN3/c1-3-8-19-15(14-12(17)6-5-7-13(14)18)16-20-9-11-21(16)10-4-2/h5-7,9,11,15,19H,3-4,8,10H2,1-2H3
InChIKeyXFQFEIFRIWCNKD-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.17
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 61317545) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID61317545
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(F)cccc1Cl)c1nccn1CCC
InChIInChI=1S/C16H21ClFN3/c1-3-8-19-15(14-12(17)6-5-7-13(14)18)16-20-9-11-21(16)10-4-2/h5-7,9,11,15,19H,3-4,8,10H2,1-2H3
InChIKeyXFQFEIFRIWCNKD-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(4-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107992682
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307653
N-[(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808190
N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
[(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308170
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 61317545) is N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1c(F)cccc1Cl)c1nccn1CCC.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is XFQFEIFRIWCNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-3-8-19-15(14-12(17)6-5-7-13(14)18)16-20-9-11-21(16)10-4-2/h5-7,9,11,15,19H,3-4,8,10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 309.82 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61317545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).