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

C14H20F3N — CID 55040773

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCCCC(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C14H20F3N/c1-3-4-5-13(18-2)10-11-6-8-12(9-7-11)14(15,16)17/h6-9,13,18H,3-5,10H2,1-2H3
InChIKeyQVMRLUYTLMOPPL-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.03
Rot. Bonds6

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

N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (PubChem CID 55040773) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
PubChem CID55040773
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCCCC(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C14H20F3N/c1-3-4-5-13(18-2)10-11-6-8-12(9-7-11)14(15,16)17/h6-9,13,18H,3-5,10H2,1-2H3
InChIKeyQVMRLUYTLMOPPL-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
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
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
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
[3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-yl]hydrazine
CID 105299684
N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 82989467
N-heptan-3-yl-4-(trifluoromethyl)aniline
CID 63947289
(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
CID 146224491
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (CID 55040773) is N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine is CCCCC(Cc1ccc(C(F)(F)F)cc1)NC.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The InChIKey is QVMRLUYTLMOPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-4-5-13(18-2)10-11-6-8-12(9-7-11)14(15,16)17/h6-9,13,18H,3-5,10H2,1-2H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 4.03, 6 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]hexan-2-amine is sourced from PubChem (CID 55040773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).