N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine

C17H26F3N — CID 60669224

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
SMILESCCCCCCCCCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-13-21-14-15-9-11-16(12-10-15)17(18,19)20/h9-12,21H,2-8,13-14H2,1H3
InChIKeyYIAGXIOWNDCWGR-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.55
Rot. Bonds10

About N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine

N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine (PubChem CID 60669224) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
PubChem CID60669224
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
SMILESCCCCCCCCCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-13-21-14-15-9-11-16(12-10-15)17(18,19)20/h9-12,21H,2-8,13-14H2,1H3
InChIKeyYIAGXIOWNDCWGR-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.55
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

4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 106844754
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide
CID 70939243
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
4-[(nonadecylamino)methyl]phenol
CID 70039599
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine (CID 60669224) is N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine is CCCCCCCCCNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine?
The InChIKey is YIAGXIOWNDCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-2-3-4-5-6-7-8-13-21-14-15-9-11-16(12-10-15)17(18,19)20/h9-12,21H,2-8,13-14H2,1H3.
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine is sourced from PubChem (CID 60669224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).