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

C17H26F3N — CID 105028045

IUPACN,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)CC(CC)CC
InChIInChI=1S/C17H26F3N/c1-4-13(5-2)11-16(21-6-3)12-14-7-9-15(10-8-14)17(18,19)20/h7-10,13,16,21H,4-6,11-12H2,1-3H3
InChIKeyRUXAJBOPWJOSKJ-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.05
Rot. Bonds8

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

N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (PubChem CID 105028045) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
PubChem CID105028045
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)CC(CC)CC
InChIInChI=1S/C17H26F3N/c1-4-13(5-2)11-16(21-6-3)12-14-7-9-15(10-8-14)17(18,19)20/h7-10,13,16,21H,4-6,11-12H2,1-3H3
InChIKeyRUXAJBOPWJOSKJ-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
1-(4-bromophenyl)-N,4-diethylhexan-2-amine
CID 82920737
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
(2S)-2-(ethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 175779531
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 63526917
2-N-ethyl-3-N,3-N,3-trimethyl-1-[4-(trifluoromethyl)phenyl]butane-2,3-diamine
CID 79046053
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The IUPAC name of N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (CID 105028045) is N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.
What is the SMILES notation for N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The canonical SMILES for N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine is CCNC(Cc1ccc(C(F)(F)F)cc1)CC(CC)CC.
What is the InChIKey of N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The InChIKey is RUXAJBOPWJOSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-4-13(5-2)11-16(21-6-3)12-14-7-9-15(10-8-14)17(18,19)20/h7-10,13,16,21H,4-6,11-12H2,1-3H3.
What are the key properties of N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine has a molecular weight of 301.40 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine is sourced from PubChem (CID 105028045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).