N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine

C14H19F4N — CID 115350279

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F4N/c1-2-3-4-5-6-19-10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9,19H,2-6,10H2,1H3
InChIKeySBEXENYWUJQNIK-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.51
Rot. Bonds7

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine (PubChem CID 115350279) has the molecular formula C14H19F4N and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
PubChem CID115350279
Molecular FormulaC14H19F4N
Molecular Weight277.30 g/mol
Exact Mass277.15
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F4N/c1-2-3-4-5-6-19-10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9,19H,2-6,10H2,1H3
InChIKeySBEXENYWUJQNIK-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine 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

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
3-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115748160
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
3-fluoro-5-[(octylamino)methyl]benzonitrile
CID 115567687
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-prop-2-ynylsulfanylethanamine
CID 103823533

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine (CID 115350279) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine is CCCCCCNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine?
The InChIKey is SBEXENYWUJQNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-2-3-4-5-6-19-10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9,19H,2-6,10H2,1H3.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine has a molecular weight of 277.30 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine is sourced from PubChem (CID 115350279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).