N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine

C14H20F3NO — CID 62597829

IUPACN-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-4-10(2)18-9-11(3)19-13-7-5-6-12(8-13)14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyKHSKAGHAVOGZBK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds6

About N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine

N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine (PubChem CID 62597829) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
PubChem CID62597829
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
SMILESCCC(C)NCC(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-4-10(2)18-9-11(3)19-13-7-5-6-12(8-13)14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyKHSKAGHAVOGZBK-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 102747539
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
2-[3-(trifluoromethyl)phenoxy]butanenitrile
CID 55207608
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine (CID 62597829) is N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine is CCC(C)NCC(C)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
The InChIKey is KHSKAGHAVOGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-10(2)18-9-11(3)19-13-7-5-6-12(8-13)14(15,16)17/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine?
N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine is sourced from PubChem (CID 62597829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).