N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine

C14H17F2N3 — CID 82822556

IUPACN-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc[nH]1)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H17F2N3/c1-3-6-17-13(14-18-7-8-19-14)11-10(15)5-4-9(2)12(11)16/h4-5,7-8,13,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyCAZLBLRDXQAZDH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.09
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine

N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine (PubChem CID 82822556) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
PubChem CID82822556
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc[nH]1)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H17F2N3/c1-3-6-17-13(14-18-7-8-19-14)11-10(15)5-4-9(2)12(11)16/h4-5,7-8,13,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyCAZLBLRDXQAZDH-UHFFFAOYSA-N
XLogP3.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 82822208
N-[(2,6-difluoro-3-methylphenyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82803166
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82797902
N-[(2,6-difluoro-3-methylphenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105027016
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023117
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82822460
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114730166
[(2,3-difluoro-4-methylphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 107516464

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine (CID 82822556) is N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ncc[nH]1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
The InChIKey is CAZLBLRDXQAZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-6-17-13(14-18-7-8-19-14)11-10(15)5-4-9(2)12(11)16/h4-5,7-8,13,17H,3,6H2,1-2H3,(H,18,19).
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine?
N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82822556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).