N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine

C14H20F3N — CID 62119825

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine
SMILESCCCC(CC)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-3-6-13(4-2)18-10-11-7-5-8-12(9-11)14(15,16)17/h5,7-9,13,18H,3-4,6,10H2,1-2H3
InChIKeyARSMNEJQLXAXAP-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.37
Rot. Bonds6

About N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine

N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine (PubChem CID 62119825) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine
PubChem CID62119825
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine
SMILESCCCC(CC)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-3-6-13(4-2)18-10-11-7-5-8-12(9-11)14(15,16)17/h5,7-9,13,18H,3-4,6,10H2,1-2H3
InChIKeyARSMNEJQLXAXAP-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
1-ethylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 115626116
1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 103109740
1-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol;dihydrochloride
CID 159820539
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine (CID 62119825) is N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine is CCCC(CC)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine?
The InChIKey is ARSMNEJQLXAXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-3-6-13(4-2)18-10-11-7-5-8-12(9-11)14(15,16)17/h5,7-9,13,18H,3-4,6,10H2,1-2H3.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine?
N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine has a molecular weight of 259.31 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine is sourced from PubChem (CID 62119825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).