(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine

C13H15F6N — CID 171210265

IUPAC(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-3-7(2)11(20)9-5-4-8(12(14,15)16)6-10(9)13(17,18)19/h4-7,11H,3,20H2,1-2H3/t7?,11-/m1/s1
InChIKeyPDLWWHOZLQXKIW-PLNQYNMKSA-N
MW299.26 g/mol
LogP4.77
Rot. Bonds3

About (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine

(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine (PubChem CID 171210265) has the molecular formula C13H15F6N and a molecular weight of 299.26 g/mol. Its IUPAC name is (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
PubChem CID171210265
Molecular FormulaC13H15F6N
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
SMILESCCC(C)[C@@H](N)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-3-7(2)11(20)9-5-4-8(12(14,15)16)6-10(9)13(17,18)19/h4-7,11H,3,20H2,1-2H3/t7?,11-/m1/s1
InChIKeyPDLWWHOZLQXKIW-PLNQYNMKSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
CID 171249850
(1R,2S)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171264197
(1S,2R)-1-amino-1-[2,5-bis(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171269411
(1S,2R)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-5-methylhexan-2-ol;hydrochloride
CID 171269885
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171198600
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171218118
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171227402
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171229824

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine?
The IUPAC name of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine (CID 171210265) is (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine is CCC(C)[C@@H](N)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine?
The InChIKey is PDLWWHOZLQXKIW-PLNQYNMKSA-N. The full InChI is InChI=1S/C13H15F6N/c1-3-7(2)11(20)9-5-4-8(12(14,15)16)6-10(9)13(17,18)19/h4-7,11H,3,20H2,1-2H3/t7?,11-/m1/s1.
What are the key properties of (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine?
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine is sourced from PubChem (CID 171210265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).