2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline

C14H20F3N — CID 43095586

IUPAC2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H20F3N/c1-4-9(3)8-10(5-2)18-12-7-6-11(15)13(16)14(12)17/h6-7,9-10,18H,4-5,8H2,1-3H3
InChIKeyGJYNSVNRLXRFLK-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.73
Rot. Bonds6

About 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline

2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline (PubChem CID 43095586) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline
PubChem CID43095586
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H20F3N/c1-4-9(3)8-10(5-2)18-12-7-6-11(15)13(16)14(12)17/h6-7,9-10,18H,4-5,8H2,1-3H3
InChIKeyGJYNSVNRLXRFLK-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trifluoro-N-(2-methylpentan-3-yl)aniline
CID 43759530
1-(2,3,4-trifluoroanilino)propan-1-ol
CID 151840381
4-chloro-N-(5-methylheptan-3-yl)aniline
CID 43109712
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 63451274
1-pentan-3-yl-3-(2,3,4-trifluorophenyl)urea
CID 47132828
1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
CID 54962781
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
N-(5-methylheptan-3-yl)-2-(trifluoromethoxy)aniline
CID 43105351
2,3,4-trifluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43105914
3-fluoro-4-methyl-5-(5-methylheptan-3-ylamino)benzamide
CID 43735773
2-fluoro-1-N-methyl-4-N-(5-methylheptan-3-yl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679336

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline (CID 43095586) is 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline?
The InChIKey is GJYNSVNRLXRFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-4-9(3)8-10(5-2)18-12-7-6-11(15)13(16)14(12)17/h6-7,9-10,18H,4-5,8H2,1-3H3.
What are the key properties of 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline?
2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline has a molecular weight of 259.31 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 43095586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).