N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine

C16H24F3N — CID 43220747

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-3-4-5-6-9-13(2)20-12-14-10-7-8-11-15(14)16(17,18)19/h7-8,10-11,13,20H,3-6,9,12H2,1-2H3
InChIKeyBBNIOMGFBIDLOD-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.15
Rot. Bonds8

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

N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine (PubChem CID 43220747) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
PubChem CID43220747
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-3-4-5-6-9-13(2)20-12-14-10-7-8-11-15(14)16(17,18)19/h7-8,10-11,13,20H,3-6,9,12H2,1-2H3
InChIKeyBBNIOMGFBIDLOD-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.15
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

N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
4-ethylsulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 115907731
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
(2S)-4-[(R)-methylsulfinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 95975680
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
CID 104546914
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
N-[(2-prop-2-ynoxyphenyl)methyl]octan-2-amine
CID 43220796
methyl 2-[[2-(trifluoromethyl)phenyl]methylamino]hexanoate
CID 103868443
(2R)-N-benzylheptan-2-amine
CID 14923313

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine (CID 43220747) is N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine is CCCCCCC(C)NCc1ccccc1C(F)(F)F.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine?
The InChIKey is BBNIOMGFBIDLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-3-4-5-6-9-13(2)20-12-14-10-7-8-11-15(14)16(17,18)19/h7-8,10-11,13,20H,3-6,9,12H2,1-2H3.
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine is sourced from PubChem (CID 43220747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).