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

C24H40F3N — CID 6426222

IUPACN-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H40F3N/c1-3-5-7-9-11-13-18-28(19-14-12-10-8-6-4-2)21-22-16-15-17-23(20-22)24(25,26)27/h15-17,20H,3-14,18-19,21H2,1-2H3
InChIKeyOABJUPIVVVIHPV-UHFFFAOYSA-N
MW399.59 g/mol
LogP8.23
Rot. Bonds16

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

N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine (PubChem CID 6426222) has the molecular formula C24H40F3N and a molecular weight of 399.59 g/mol. Its IUPAC name is N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine.

Molecular Properties

Compound NameN-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
PubChem CID6426222
Molecular FormulaC24H40F3N
Molecular Weight399.59 g/mol
Exact Mass399.31
IUPAC NameN-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H40F3N/c1-3-5-7-9-11-13-18-28(19-14-12-10-8-6-4-2)21-22-16-15-17-23(20-22)24(25,26)27/h15-17,20H,3-14,18-19,21H2,1-2H3
InChIKeyOABJUPIVVVIHPV-UHFFFAOYSA-N
XLogP8.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.59
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
2-[propyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 61224322
N-[(3-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426450
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-[(dihexadecylamino)methyl]-N'-(2,2,2-trifluoroethyl)benzenecarboximidamide
CID 12565128
N,N-dibenzyldodecan-1-amine
CID 11508874
dodecyl-dimethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium chloride
CID 23338431
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621321
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892

Frequently Asked Questions

What is the IUPAC name of N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine?
The IUPAC name of N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine (CID 6426222) is N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine.
What is the SMILES notation for N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine?
The canonical SMILES for N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine is CCCCCCCCN(CCCCCCCC)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine?
The InChIKey is OABJUPIVVVIHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40F3N/c1-3-5-7-9-11-13-18-28(19-14-12-10-8-6-4-2)21-22-16-15-17-23(20-22)24(25,26)27/h15-17,20H,3-14,18-19,21H2,1-2H3.
What are the key properties of N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine?
N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine has a molecular weight of 399.59 g/mol, XLogP of 8.23, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine is sourced from PubChem (CID 6426222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).