N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

C16H20F3N3 — CID 77090966

IUPACN-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)n1cncc1CN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3/c1-12(2)22-11-20-8-15(22)10-21(3)9-13-5-4-6-14(7-13)16(17,18)19/h4-8,11-12H,9-10H2,1-3H3
InChIKeyUSLVLCTVHVIGFV-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.11
Rot. Bonds5

About N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 77090966) has the molecular formula C16H20F3N3 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID77090966
Molecular FormulaC16H20F3N3
Molecular Weight311.35 g/mol
Exact Mass311.16
IUPAC NameN-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)n1cncc1CN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3/c1-12(2)22-11-20-8-15(22)10-21(3)9-13-5-4-6-14(7-13)16(17,18)19/h4-8,11-12H,9-10H2,1-3H3
InChIKeyUSLVLCTVHVIGFV-UHFFFAOYSA-N
XLogP4.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N-[(3-methylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62998807
1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine
CID 71181650
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981
N',2,2-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine;hydrochloride
CID 119928729
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413
N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 60502342
N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
CID 46044426

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 77090966) is N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is CC(C)n1cncc1CN(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is USLVLCTVHVIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3/c1-12(2)22-11-20-8-15(22)10-21(3)9-13-5-4-6-14(7-13)16(17,18)19/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 311.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 77090966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).