N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine

C17H26F3N — CID 63414431

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
SMILESCCCCCCCCC(NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H26F3N/c1-3-4-5-6-7-8-12-16(21-2)14-10-9-11-15(13-14)17(18,19)20/h9-11,13,16,21H,3-8,12H2,1-2H3
InChIKeyAUIPOCAWBMLEEC-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.72
Rot. Bonds9

About N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine

N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine (PubChem CID 63414431) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
PubChem CID63414431
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
SMILESCCCCCCCCC(NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H26F3N/c1-3-4-5-6-7-8-12-16(21-2)14-10-9-11-15(13-14)17(18,19)20/h9-11,13,16,21H,3-8,12H2,1-2H3
InChIKeyAUIPOCAWBMLEEC-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652780

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine (CID 63414431) is N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine is CCCCCCCCC(NC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine?
The InChIKey is AUIPOCAWBMLEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-3-4-5-6-7-8-12-16(21-2)14-10-9-11-15(13-14)17(18,19)20/h9-11,13,16,21H,3-8,12H2,1-2H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine?
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine is sourced from PubChem (CID 63414431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).