N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine

C17H26F3N — CID 82989467

IUPACN-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCCC(CCC)C(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C17H26F3N/c1-4-6-14(7-5-2)16(21-3)12-13-8-10-15(11-9-13)17(18,19)20/h8-11,14,16,21H,4-7,12H2,1-3H3
InChIKeyJJDFDRANEKDDLT-UHFFFAOYSA-N
MW301.40 g/mol
LogP5.05
Rot. Bonds8

About N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine

N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (PubChem CID 82989467) has the molecular formula C17H26F3N and a molecular weight of 301.40 g/mol. Its IUPAC name is N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.

Molecular Properties

Compound NameN-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
PubChem CID82989467
Molecular FormulaC17H26F3N
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCCCC(CCC)C(Cc1ccc(C(F)(F)F)cc1)NC
InChIInChI=1S/C17H26F3N/c1-4-6-14(7-5-2)16(21-3)12-13-8-10-15(11-9-13)17(18,19)20/h8-11,14,16,21H,4-7,12H2,1-3H3
InChIKeyJJDFDRANEKDDLT-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

N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
[3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-yl]hydrazine
CID 105299684
4-ethyl-N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028112
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
1-(2-bromo-3-ethylheptyl)-4-(trifluoromethyl)benzene
CID 63529882
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
[1-(4-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105283723
2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 116718838
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The IUPAC name of N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine (CID 82989467) is N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine.
What is the SMILES notation for N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The canonical SMILES for N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine is CCCC(CCC)C(Cc1ccc(C(F)(F)F)cc1)NC.
What is the InChIKey of N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
The InChIKey is JJDFDRANEKDDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N/c1-4-6-14(7-5-2)16(21-3)12-13-8-10-15(11-9-13)17(18,19)20/h8-11,14,16,21H,4-7,12H2,1-3H3.
What are the key properties of N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine?
N-methyl-3-propyl-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-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine is sourced from PubChem (CID 82989467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).