N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline

C14H16F3N3 — CID 66481735

IUPACN-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCCCn1ccnc1
InChIInChI=1S/C14H16F3N3/c1-11-3-4-12(14(15,16)17)9-13(11)19-5-2-7-20-8-6-18-10-20/h3-4,6,8-10,19H,2,5,7H2,1H3
InChIKeyHWTFPCLAFHBLBD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.71
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline

N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66481735) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66481735
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCCCn1ccnc1
InChIInChI=1S/C14H16F3N3/c1-11-3-4-12(14(15,16)17)9-13(11)19-5-2-7-20-8-6-18-10-20/h3-4,6,8-10,19H,2,5,7H2,1H3
InChIKeyHWTFPCLAFHBLBD-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
2-bromo-N-(4-imidazol-1-ylbutyl)-4-(trifluoromethyl)aniline
CID 115511634
N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
CID 62313288
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-2,6-dinitro-4-(trifluoromethyl)aniline
CID 2804808
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
4-N-(4-imidazol-1-ylbutyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747604
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline (CID 66481735) is N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is HWTFPCLAFHBLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-11-3-4-12(14(15,16)17)9-13(11)19-5-2-7-20-8-6-18-10-20/h3-4,6,8-10,19H,2,5,7H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline?
N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 283.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66481735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).