3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine

C14H16F3N3 — CID 82558553

IUPAC3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c15-14(16,17)12-4-2-11(3-5-12)10-13-19-7-9-20(13)8-1-6-18/h2-5,7,9H,1,6,8,10,18H2
InChIKeyNMIOFIIANZMGRS-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.84
Rot. Bonds5

About 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine

3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine (PubChem CID 82558553) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
PubChem CID82558553
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c15-14(16,17)12-4-2-11(3-5-12)10-13-19-7-9-20(13)8-1-6-18/h2-5,7,9H,1,6,8,10,18H2
InChIKeyNMIOFIIANZMGRS-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558552
4-[[1-(4-aminobutyl)imidazol-2-yl]methyl]aniline
CID 82558650
3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558720
4-[(1-butylimidazol-2-yl)methyl]aniline
CID 70226116
2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561546
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
3-[2-[(3-nitrophenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558751
2-[2-[(4-nitrophenyl)methyl]imidazol-1-yl]ethanamine
CID 82558035
3-[2-[4-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]propan-1-amine;dihydrochloride
CID 154923637
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 131948411

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine (CID 82558553) is 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine is NCCCn1ccnc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine?
The InChIKey is NMIOFIIANZMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c15-14(16,17)12-4-2-11(3-5-12)10-13-19-7-9-20(13)8-1-6-18/h2-5,7,9H,1,6,8,10,18H2.
What are the key properties of 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine?
3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine has a molecular weight of 283.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82558553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).