N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine

C14H16F3N3 — CID 82558534

IUPACN-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
SMILESCNCCn1ccnc1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3/c1-18-6-8-20-9-7-19-13(20)10-11-4-2-3-5-12(11)14(15,16)17/h2-5,7,9,18H,6,8,10H2,1H3
InChIKeyPMQNVDITLVMHEZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine

N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine (PubChem CID 82558534) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
PubChem CID82558534
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
SMILESCNCCn1ccnc1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3/c1-18-6-8-20-9-7-19-13(20)10-11-4-2-3-5-12(11)14(15,16)17/h2-5,7,9,18H,6,8,10H2,1H3
InChIKeyPMQNVDITLVMHEZ-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560307
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558552
4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561544
2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
CID 82557914
1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570549
7-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine
CID 117144494
1-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47095383
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
N-methyl-2-[5-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078988

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine (CID 82558534) is N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine is CNCCn1ccnc1Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine?
The InChIKey is PMQNVDITLVMHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-18-6-8-20-9-7-19-13(20)10-11-4-2-3-5-12(11)14(15,16)17/h2-5,7,9,18H,6,8,10H2,1H3.
What are the key properties of N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine?
N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 82558534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).