1-[3-(trifluoromethoxy)phenyl]nonan-1-amine

C16H24F3NO — CID 115854116

IUPAC1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-2-3-4-5-6-7-11-15(20)13-9-8-10-14(12-13)21-16(17,18)19/h8-10,12,15H,2-7,11,20H2,1H3
InChIKeyVXCMQUKKBABHFT-UHFFFAOYSA-N
MW303.37 g/mol
LogP5.34
Rot. Bonds9

About 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine

1-[3-(trifluoromethoxy)phenyl]nonan-1-amine (PubChem CID 115854116) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
PubChem CID115854116
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-2-3-4-5-6-7-11-15(20)13-9-8-10-14(12-13)21-16(17,18)19/h8-10,12,15H,2-7,11,20H2,1H3
InChIKeyVXCMQUKKBABHFT-UHFFFAOYSA-N
XLogP5.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.37
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(trifluoromethoxy)phenyl]nonan-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

(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
N-ethyl-1-[3-(trifluoromethoxy)phenyl]heptan-1-amine
CID 115854011
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1-hexan-2-yl-3-(trifluoromethoxy)benzene
CID 123947966
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 102927944
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine (CID 115854116) is 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine is CCCCCCCCC(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine?
The InChIKey is VXCMQUKKBABHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-2-3-4-5-6-7-11-15(20)13-9-8-10-14(12-13)21-16(17,18)19/h8-10,12,15H,2-7,11,20H2,1H3.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine?
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]nonan-1-amine is sourced from PubChem (CID 115854116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).