1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine

C21H24FN3O2 — CID 119126640

IUPAC1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1cc(OC)cc(C(NCc2ccc(C)c(F)c2)c2nccn2C)c1
InChIInChI=1S/C21H24FN3O2/c1-14-5-6-15(9-19(14)22)13-24-20(21-23-7-8-25(21)2)16-10-17(26-3)12-18(11-16)27-4/h5-12,20,24H,13H2,1-4H3
InChIKeyRLAUUJNYLCSDRO-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.76
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine

1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 119126640) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
PubChem CID119126640
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1cc(OC)cc(C(NCc2ccc(C)c(F)c2)c2nccn2C)c1
InChIInChI=1S/C21H24FN3O2/c1-14-5-6-15(9-19(14)22)13-24-20(21-23-7-8-25(21)2)16-10-17(26-3)12-18(11-16)27-4/h5-12,20,24H,13H2,1-4H3
InChIKeyRLAUUJNYLCSDRO-UHFFFAOYSA-N
XLogP3.76
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 166187575
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
(1R)-1-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 94193697
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
(1S)-N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 94193703
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 18226485

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine (CID 119126640) is 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine is COc1cc(OC)cc(C(NCc2ccc(C)c(F)c2)c2nccn2C)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is RLAUUJNYLCSDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-14-5-6-15(9-19(14)22)13-24-20(21-23-7-8-25(21)2)16-10-17(26-3)12-18(11-16)27-4/h5-12,20,24H,13H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 369.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 119126640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).