N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine

C13H17F4N — CID 81297245

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H17F4N/c1-3-4-9(2)18-8-10-5-6-11(14)7-12(10)13(15,16)17/h5-7,9,18H,3-4,8H2,1-2H3
InChIKeyYJFCQKVARPZWRL-UHFFFAOYSA-N
MW263.28 g/mol
LogP4.12
Rot. Bonds5

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine (PubChem CID 81297245) has the molecular formula C13H17F4N and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
PubChem CID81297245
Molecular FormulaC13H17F4N
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H17F4N/c1-3-4-9(2)18-8-10-5-6-11(14)7-12(10)13(15,16)17/h5-7,9,18H,3-4,8H2,1-2H3
InChIKeyYJFCQKVARPZWRL-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylsulfanyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 115907759
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
4-fluoro-2-[(pentan-2-ylamino)methyl]benzonitrile
CID 107903665
N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 103107033
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103821545
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine (CID 81297245) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine is CCCC(C)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
The InChIKey is YJFCQKVARPZWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N/c1-3-4-9(2)18-8-10-5-6-11(14)7-12(10)13(15,16)17/h5-7,9,18H,3-4,8H2,1-2H3.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine has a molecular weight of 263.28 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 81297245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).