[4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

C15H21F3N2 — CID 79686371

IUPAC[4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)(C)C1CN(c2ccc(CN)cc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-14(2,3)11-8-20(9-11)13-5-4-10(7-19)6-12(13)15(16,17)18/h4-6,11H,7-9,19H2,1-3H3
InChIKeyRCBWCVVALIOEBK-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.65
Rot. Bonds2

About [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

[4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 79686371) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID79686371
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name[4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)(C)C1CN(c2ccc(CN)cc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-14(2,3)11-8-20(9-11)13-5-4-10(7-19)6-12(13)15(16,17)18/h4-6,11H,7-9,19H2,1-3H3
InChIKeyRCBWCVVALIOEBK-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (CID 79686371) is [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine is CC(C)(C)C1CN(c2ccc(CN)cc2C(F)(F)F)C1.
What is the InChIKey of [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RCBWCVVALIOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-14(2,3)11-8-20(9-11)13-5-4-10(7-19)6-12(13)15(16,17)18/h4-6,11H,7-9,19H2,1-3H3.
What are the key properties of [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
[4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-tert-butylazetidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 79686371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).