(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine

C13H18F3NO — CID 171210773

IUPAC(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1ccc([C@H](N)CCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-9(2)18-11-5-3-10(4-6-11)12(17)7-8-13(14,15)16/h3-6,9,12H,7-8,17H2,1-2H3/t12-/m1/s1
InChIKeyUURLHIACVHIBHT-GFCCVEGCSA-N
MW261.29 g/mol
LogP3.82
Rot. Bonds5

About (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine

(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 171210773) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
PubChem CID171210773
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1ccc([C@H](N)CCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-9(2)18-11-5-3-10(4-6-11)12(17)7-8-13(14,15)16/h3-6,9,12H,7-8,17H2,1-2H3/t12-/m1/s1
InChIKeyUURLHIACVHIBHT-GFCCVEGCSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116934759
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 81343833
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780

Frequently Asked Questions

What is the IUPAC name of (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine (CID 171210773) is (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine is CC(C)Oc1ccc([C@H](N)CCC(F)(F)F)cc1.
What is the InChIKey of (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is UURLHIACVHIBHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(2)18-11-5-3-10(4-6-11)12(17)7-8-13(14,15)16/h3-6,9,12H,7-8,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine?
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 171210773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).