N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine

C16H24F3N — CID 114752994

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
SMILESCCCCCCC(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C16H24F3N/c1-3-4-5-6-7-15(20-2)12-13-8-10-14(11-9-13)16(17,18)19/h8-11,15,20H,3-7,12H2,1-2H3
InChIKeyAUIXCTWIRMFEDL-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.81
Rot. Bonds8

About N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine

N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine (PubChem CID 114752994) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
PubChem CID114752994
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
SMILESCCCCCCC(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C16H24F3N/c1-3-4-5-6-7-15(20-2)12-13-8-10-14(11-9-13)16(17,18)19/h8-11,15,20H,3-7,12H2,1-2H3
InChIKeyAUIXCTWIRMFEDL-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.81
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-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
N-methyl-1-phenyldecan-2-amine
CID 63412341
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine (CID 114752994) is N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine is CCCCCCC(Cc1ccc(C(F)(F)F)cc1)NC.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine?
The InChIKey is AUIXCTWIRMFEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-3-4-5-6-7-15(20-2)12-13-8-10-14(11-9-13)16(17,18)19/h8-11,15,20H,3-7,12H2,1-2H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine?
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine is sourced from PubChem (CID 114752994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).