1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

C14H17F2N3 — CID 61318962

IUPAC1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-3-8-19-9-7-18-14(19)13(17-2)12-10(15)5-4-6-11(12)16/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyBDUQHZCDFDNJED-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.88
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 61318962) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
PubChem CID61318962
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1c(F)cccc1F
InChIInChI=1S/C14H17F2N3/c1-3-8-19-9-7-18-14(19)13(17-2)12-10(15)5-4-6-11(12)16/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyBDUQHZCDFDNJED-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317545
N-methyl-1-(1-propylimidazol-2-yl)-1-pyridin-3-ylmethanamine
CID 61318146
[(2-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105307653
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65152000
2-(2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)ethanamine
CID 63970219
[(3-fluoro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105257823
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317535
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 62919527
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 61319379

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (CID 61318962) is 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is BDUQHZCDFDNJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-8-19-9-7-18-14(19)13(17-2)12-10(15)5-4-6-11(12)16/h4-7,9,13,17H,3,8H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 265.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 61318962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).