N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine

C14H20F3NO — CID 59146343

IUPACN,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine
SMILESC[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C(C)(C)C
InChIInChI=1S/C14H20F3NO/c1-10(18(5)13(2,3)4)11-6-8-12(9-7-11)19-14(15,16)17/h6-10H,1-5H3/t10-/m1/s1
InChIKeyFQQIORUFSFNSMO-SNVBAGLBSA-N
MW275.31 g/mol
LogP4.38
Rot. Bonds3

About N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine

N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine (PubChem CID 59146343) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine
PubChem CID59146343
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine
SMILESC[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C(C)(C)C
InChIInChI=1S/C14H20F3NO/c1-10(18(5)13(2,3)4)11-6-8-12(9-7-11)19-14(15,16)17/h6-10H,1-5H3/t10-/m1/s1
InChIKeyFQQIORUFSFNSMO-SNVBAGLBSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
1-(3-bromobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 66470056
2-(dimethylamino)-2-[4-(trifluoromethoxy)phenyl]acetonitrile
CID 43802575
(1S)-N-tert-butylsulfanyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 174916016
N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine
CID 63644044
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
[2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 105305314
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine?
The IUPAC name of N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine (CID 59146343) is N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine is C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine?
The InChIKey is FQQIORUFSFNSMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(18(5)13(2,3)4)11-6-8-12(9-7-11)19-14(15,16)17/h6-10H,1-5H3/t10-/m1/s1.
What are the key properties of N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine?
N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 59146343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).