(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

C14H18F3N — CID 66767433

IUPAC(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESC=C(C(C)C)[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-9(2)10(3)13(18)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,9,13H,3,8,18H2,1-2H3/t13-/m1/s1
InChIKeyCLZVUTLFZATUMJ-CYBMUJFWSA-N
MW257.30 g/mol
LogP3.79
Rot. Bonds4

About (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 66767433) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID66767433
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESC=C(C(C)C)[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-9(2)10(3)13(18)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,9,13H,3,8,18H2,1-2H3/t13-/m1/s1
InChIKeyCLZVUTLFZATUMJ-CYBMUJFWSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
4-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 105004659
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 22262196
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
methyl 2-amino-5-methyl-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 174512917
(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
1-[2-(1-chloroethyl)-3-methylbutyl]-4-(trifluoromethyl)benzene
CID 63472261
dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
CID 87141209
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 64541975

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (CID 66767433) is (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is C=C(C(C)C)[C@H](N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is CLZVUTLFZATUMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18F3N/c1-9(2)10(3)13(18)8-11-4-6-12(7-5-11)14(15,16)17/h4-7,9,13H,3,8,18H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 66767433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).