N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine

C16H24F3NO — CID 115566606

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-2-3-4-5-6-9-12-20-13-14-10-7-8-11-15(14)21-16(17,18)19/h7-8,10-11,20H,2-6,9,12-13H2,1H3
InChIKeyHCCAWMBBUIHQRE-UHFFFAOYSA-N
MW303.37 g/mol
LogP5.04
Rot. Bonds10

About N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine

N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine (PubChem CID 115566606) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
PubChem CID115566606
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H24F3NO/c1-2-3-4-5-6-9-12-20-13-14-10-7-8-11-15(14)21-16(17,18)19/h7-8,10-11,20H,2-6,9,12-13H2,1H3
InChIKeyHCCAWMBBUIHQRE-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
4-methylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 115639279
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine (CID 115566606) is N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine is CCCCCCCCNCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine?
The InChIKey is HCCAWMBBUIHQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-2-3-4-5-6-9-12-20-13-14-10-7-8-11-15(14)21-16(17,18)19/h7-8,10-11,20H,2-6,9,12-13H2,1H3.
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine?
N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine is sourced from PubChem (CID 115566606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).