N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine

C18H17F2N3 — CID 86845340

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc(F)cc2)cc1F
InChIInChI=1S/C18H17F2N3/c1-13-22-8-9-23(13)18-7-4-15(10-17(18)20)12-21-11-14-2-5-16(19)6-3-14/h2-10,21H,11-12H2,1H3
InChIKeyPOVAMOYOGSCOLL-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 86845340) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID86845340
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc(F)cc2)cc1F
InChIInChI=1S/C18H17F2N3/c1-13-22-8-9-23(13)18-7-4-15(10-17(18)20)12-21-11-14-2-5-16(19)6-3-14/h2-10,21H,11-12H2,1H3
InChIKeyPOVAMOYOGSCOLL-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 55133745
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
4-fluoro-N-[2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 47933313
4-fluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133274404
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918426
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409852
1-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183053
3-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylbutanamide
CID 120503327
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119863331
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863330

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine (CID 86845340) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine is Cc1nccn1-c1ccc(CNCc2ccc(F)cc2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is POVAMOYOGSCOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-13-22-8-9-23(13)18-7-4-15(10-17(18)20)12-21-11-14-2-5-16(19)6-3-14/h2-10,21H,11-12H2,1H3.
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 313.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 86845340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).