N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline

C14H16F3N3 — CID 62313288

IUPACN-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCCCCn1ccnc1
InChIInChI=1S/C14H16F3N3/c15-14(16,17)12-5-1-2-6-13(12)19-7-3-4-9-20-10-8-18-11-20/h1-2,5-6,8,10-11,19H,3-4,7,9H2
InChIKeySCYIUYCXKAYSCD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.79
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline

N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline (PubChem CID 62313288) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
PubChem CID62313288
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCCCCn1ccnc1
InChIInChI=1S/C14H16F3N3/c15-14(16,17)12-5-1-2-6-13(12)19-7-3-4-9-20-10-8-18-11-20/h1-2,5-6,8,10-11,19H,3-4,7,9H2
InChIKeySCYIUYCXKAYSCD-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.79
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

2-bromo-N-(4-imidazol-1-ylbutyl)-4-(trifluoromethyl)aniline
CID 115511634
N-(3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 112688168
4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90533532
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66481735
2-(difluoromethylsulfonyl)-N-(3-imidazol-1-ylpropyl)aniline
CID 43455408
4-N-(4-imidazol-1-ylbutyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747604
2-amino-3-(4-imidazol-1-ylbutylamino)benzoic acid
CID 115545705
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N-(6-chlorohexyl)-2-(trifluoromethyl)aniline
CID 107846141
N-(5-chloropentyl)-2-(trifluoromethyl)aniline
CID 107320506
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline (CID 62313288) is N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCCCCn1ccnc1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline?
The InChIKey is SCYIUYCXKAYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c15-14(16,17)12-5-1-2-6-13(12)19-7-3-4-9-20-10-8-18-11-20/h1-2,5-6,8,10-11,19H,3-4,7,9H2.
What are the key properties of N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline?
N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline has a molecular weight of 283.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62313288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).