4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline

C14H19BrF3N — CID 43680414

IUPAC4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
SMILESCCCC(CCC)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H19BrF3N/c1-3-5-10(6-4-2)19-11-7-8-13(15)12(9-11)14(16,17)18/h7-10,19H,3-6H2,1-2H3
InChIKeyCOLYWQPDQMQUNH-UHFFFAOYSA-N
MW338.21 g/mol
LogP5.85
Rot. Bonds6

About 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline

4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline (PubChem CID 43680414) has the molecular formula C14H19BrF3N and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
PubChem CID43680414
Molecular FormulaC14H19BrF3N
Molecular Weight338.21 g/mol
Exact Mass337.07
IUPAC Name4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
SMILESCCCC(CCC)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H19BrF3N/c1-3-5-10(6-4-2)19-11-7-8-13(15)12(9-11)14(16,17)18/h7-10,19H,3-6H2,1-2H3
InChIKeyCOLYWQPDQMQUNH-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.21
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)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

4-bromo-N-pent-1-yn-3-yl-3-(trifluoromethyl)aniline
CID 113482494
ethyl 2-[4-bromo-3-(trifluoromethyl)anilino]propanoate
CID 64853962
4-bromo-N-butyl-3-(trifluoromethyl)aniline
CID 43228567
4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
CID 43680432
4-bromo-N-heptan-4-yl-3-methoxyaniline
CID 82858432
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
[4-bromo-3-(trifluoromethyl)anilino]-(4-methylanilino)methanol
CID 178016795
4-bromo-N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 64628921
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
CID 81106703

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline (CID 43680414) is 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline is CCCC(CCC)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline?
The InChIKey is COLYWQPDQMQUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3N/c1-3-5-10(6-4-2)19-11-7-8-13(15)12(9-11)14(16,17)18/h7-10,19H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline?
4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline has a molecular weight of 338.21 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43680414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).