N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine

C19H26F3NO — CID 66767348

IUPACN-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine
SMILESC=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H26F3NO/c1-13(2)14(3)18(12-23-17-8-10-24-11-9-17)15-4-6-16(7-5-15)19(20,21)22/h4-7,13,17-18,23H,3,8-12H2,1-2H3/t18-/m0/s1
InChIKeyGXXIWQCVXXXEGV-SFHVURJKSA-N
MW341.42 g/mol
LogP4.77
Rot. Bonds6

About N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine

N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine (PubChem CID 66767348) has the molecular formula C19H26F3NO and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine
PubChem CID66767348
Molecular FormulaC19H26F3NO
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine
SMILESC=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H26F3NO/c1-13(2)14(3)18(12-23-17-8-10-24-11-9-17)15-4-6-16(7-5-15)19(20,21)22/h4-7,13,17-18,23H,3,8-12H2,1-2H3/t18-/m0/s1
InChIKeyGXXIWQCVXXXEGV-SFHVURJKSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine?
The IUPAC name of N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine (CID 66767348) is N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine.
What is the SMILES notation for N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine?
The canonical SMILES for N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine is C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine?
The InChIKey is GXXIWQCVXXXEGV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26F3NO/c1-13(2)14(3)18(12-23-17-8-10-24-11-9-17)15-4-6-16(7-5-15)19(20,21)22/h4-7,13,17-18,23H,3,8-12H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine?
N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine has a molecular weight of 341.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethyl)phenyl]pentyl]oxan-4-amine is sourced from PubChem (CID 66767348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).