N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine

C14H20F3NO — CID 79298066

IUPACN,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-9(2)13(18-4)10(3)11-5-7-12(8-6-11)19-14(15,16)17/h5-10,13,18H,1-4H3
InChIKeyBQZCUEGEGJSWSX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.93
Rot. Bonds5

About N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine

N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine (PubChem CID 79298066) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
PubChem CID79298066
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-9(2)13(18-4)10(3)11-5-7-12(8-6-11)19-14(15,16)17/h5-10,13,18H,1-4H3
InChIKeyBQZCUEGEGJSWSX-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 66470056
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
2-(4-bromophenyl)-N,4-dimethylpentan-3-amine
CID 79298620
N'-methyl-1,2-bis[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 166838574
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
[2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 105305314
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 115827761
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine?
The IUPAC name of N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine (CID 79298066) is N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine.
What is the SMILES notation for N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine?
The canonical SMILES for N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine is CNC(C(C)C)C(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine?
The InChIKey is BQZCUEGEGJSWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9(2)13(18-4)10(3)11-5-7-12(8-6-11)19-14(15,16)17/h5-10,13,18H,1-4H3.
What are the key properties of N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine?
N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine has a molecular weight of 275.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine is sourced from PubChem (CID 79298066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).